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

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 1-(m-tolylcarbamoyl)propyl 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-oxobutan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxobutan-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 1-(m-tolylcarbamoyl)propyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

InChI

InChI=1S/C22H24N4O3S/c1-5-19(20(27)23-17-8-6-7-14(2)13-17)29-21(28)16-9-11-18(12-10-16)26-15(3)24-25-22(26)30-4/h6-13,19H,5H2,1-4H3,(H,23,27)