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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C19H19ClN4O2S/c1-13-15(20)8-5-9-16(13)21-17(25)12-27-19-23-22-18(26)24(19)11-10-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,21,25)(H,22,26)