[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-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-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethyl-6-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-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C)C

InChI

InChI=1S/C23H26N4O3S/c1-6-17-9-7-8-14(2)20(17)24-21(28)15(3)30-22(29)18-10-12-19(13-11-18)27-16(4)25-26-23(27)31-5/h7-13,15H,6H2,1-5H3,(H,24,28)