N-(5-chloranyl-2-cyano-phenyl)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H12ClN5O2S MolecularWeight: 349.79538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C14H12ClN5O2S/c15-9-2-1-8(6-16)11(5-9)17-12(21)7-23-14-19-18-13(22)20(14)10-3-4-10/h1-2,5,10H,3-4,7H2,(H,17,21)(H,18,22)