N-[1-(4-chlorophenyl)sulfanyl-2-cyano-propan-2-yl]-3-(dimethylamino)-4-methyl-5-oxidanylidene-1,2,4-triazole-1-carboxamide

Systemtic Name: N-[1-(4-chlorophenyl)sulfanyl-2-cyano-propan-2-yl]-3-(dimethylamino)-4-methyl-5-oxidanylidene-1,2,4-triazole-1-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanyl-1-cyano-1-methyl-ethyl]-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide CAS Name: N-[1-[(4-chlorophenyl)thio]-2-cyanopropan-2-yl]-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide IUPAC Name: N-[1-(4-chlorophenyl)sulfanyl-2-cyanopropan-2-yl]-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]-1-cyano-1-methyl-ethyl]-3-(dimethylamino)-5-keto-4-methyl-1,2,4-triazole-1-carboxamide Formula: C16H19ClN6O2S MolecularWeight: 394.87906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=C(C=C1)Cl)(C#N)NC(=O)N2C(=O)N(C(=N2)N(C)C)C

Isomeric SMILES

CC(CSC1=CC=C(C=C1)Cl)(C#N)NC(=O)N2C(=O)N(C(=N2)N(C)C)C

InChI

InChI=1S/C16H19ClN6O2S/c1-16(9-18,10-26-12-7-5-11(17)6-8-12)19-14(24)23-15(25)22(4)13(20-23)21(2)3/h5-8H,10H2,1-4H3,(H,19,24)