N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-methyl-5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-methyl-5-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-methyl-5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[5-[[2-keto-2-(p-toluidino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN5O2S/c1-13-7-9-14(10-8-13)22-19(28)12-29-20-25-24-17(26(20)2)11-18(27)23-16-6-4-3-5-15(16)21/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,27)