4-methyl-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide
Basic information
- CAS
1242148-56-6- Standard SMILES
Cc1ccc(S(=O)(=O)/N=C2\C=C(Sc3ncn[nH]3)C(=O)c3ccccc32)cc1- InChIKey
HDOKKAMQZREOLG-XQNSMLJCSA-N- Molecular formula
- C19H14N4O3S2
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.05073267
Names & identifiers
- Preferred name
- 4-methyl-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide
- IUPAC
- (NE)-4-methyl-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide
Names & synonyms
MAIM1CHEMBL5183849NSC-7277044-methyl-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide(NE)-4-methyl-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamideMLS000554446BAS 003932164-Methyl-N-(4-oxidanylidene-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene)benzenesulfonamide4-methyl-N-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamideSMR0001714003J648T8SMJBDBM48729
Show more names
cid_1015540DTXSID70430577HMS1673N014-Methyl-N-[4-oxo-3-(2H-[1,2,4]triazol-3-ylsulfanyl)-4H-naphthalen-1-ylidene]-benzenesulfonamideBDBM50405438NSC727704AKOS000622509BIM-0026061.P001
Database identifiers
- CAS
1242148-56-6、315698-91-0- PubChem CID
- 9586239
- DTXSID
DTXSID70430577- ChEMBL
CHEMBL5183849- UNII
- 3J648T8SMJ
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 767
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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