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

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H16ClN5O2S MolecularWeight: 413.88064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C19H16ClN5O2S/c20-15-7-6-14(11-21)16(10-15)22-17(26)12-28-19-24-23-18(27)25(19)9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,12H2,(H,22,26)(H,23,27)