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

Systemtic Name: [1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [2-(4-methoxyanilino)-1-methyl-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-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyanilino)-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-(p-anisidino)ethyl] ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)OC)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)OC)SC

InChI

InChI=1S/C21H22N4O4S/c1-13(19(26)22-16-7-11-18(28-3)12-8-16)29-20(27)15-5-9-17(10-6-15)25-14(2)23-24-21(25)30-4/h5-13H,1-4H3,(H,22,26)