Basic information
- Standard SMILES
O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNC(=S)NC1CC1- InChIKey
HUWJFMMDAZGVFF-ARJAWSKDSA-N- Molecular formula
- C17H14F6N6OS
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 464.08539924
Names & identifiers
- Preferred name
- (Z)-2-(3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acryloyl)-N-cyclopropylhydrazinecarbothioamide
- IUPAC
- 1-[[(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoyl]amino]-3-cyclopropylthiourea
Names & synonyms
(Z)-2-(3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acryloyl)-N-cyclopropylhydrazinecarbothioamideSCHEMBL15615871
Database identifiers
- PubChem CID
- 72203359
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 676
Related reactions
2 records
Compound notes
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