1H-Indole, 1-(4-chlorobenzoyl)-2-phenyl-3-((1H-tetrazol-5-ylmethyl)thio)-
Basic information
- CAS
66354-91-4- Standard SMILES
O=C(c1ccc(Cl)cc1)n1c(-c2ccccc2)c(SCc2nn[nH]n2)c2ccccc21- InChIKey
RWTNVULKVQQHIR-UHFFFAOYSA-N- Molecular formula
- C23H16ClN5OS
- Average molar mass
- 445.9 g/mol
- Monoisotopic mass
- 445.076409
Names & identifiers
- Preferred name
- 1H-Indole, 1-(4-chlorobenzoyl)-2-phenyl-3-((1H-tetrazol-5-ylmethyl)thio)-
- IUPAC
- (4-chlorophenyl)-[2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)indol-1-yl]methanone
- English name
- 1-(4-Chlorobenzoyl)-2-phenyl-3-[(1H-tetrazol-5-yl)methylthio]-1H-indole
- Molecular formula
- C23H16ClN5OS
- Molecular weight
- 445.92
Names & synonyms
66354-91-4LCS 22707BRN 11851611H-INDOLE, 1-(4-CHLOROBENZOYL)-2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1-(4-Chlorobenzoyl)-2-phenyl-3-((1H-tetrazol-5-ylmethyl)thio)-1H-indoleDTXSID40216567RefChem:238672DTXCID70139058(4-Chlorophenyl)(2-phenyl-3-{[(2H-tetrazol-5-yl)methyl]sulfanyl}-1H-indol-1-yl)methanoneLCS-227071-(4-Chlorobenzoyl)-2-phenyl-3-[(1H-tetrazol-5-yl)methylthio]-1H-indoleMethanone, (4-chlorophenyl)[2-phenyl-3-[(2H-tetrazol-5-ylmethyl)thio]-1H-indol-1-yl]-
Database identifiers
- CAS
66354-91-4- PubChem CID
- 47901
- DTXSID
DTXSID40216567- Nikkaji
- J64.777B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 613
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Compound notes
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