[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

InChI

InChI=1S/C21H22N4O3S/c1-13-6-5-7-17(12-13)22-19(26)14(2)28-20(27)16-8-10-18(11-9-16)25-15(3)23-24-21(25)29-4/h5-12,14H,1-4H3,(H,22,26)