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

Systemtic Name: [1-[(3-methoxyphenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 1-[(3-methoxyphenyl)carbamoyl]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-methoxyanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-methoxyanilino)-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-[(3-methoxyphenyl)carbamoyl]propyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4S/c1-5-19(20(27)23-16-7-6-8-18(13-16)29-3)30-21(28)15-9-11-17(12-10-15)26-14(2)24-25-22(26)31-4/h6-13,19H,5H2,1-4H3,(H,23,27)