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

Systemtic Name: [1-(diphenylamino)-1-oxidanylidene-butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 1-(diphenylcarbamoyl)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-oxo-1-(N-phenylanilino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(N-phenylanilino)butan-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-(diphenylcarbamoyl)propyl ester Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C(=NN=C4SC)C

Isomeric SMILES

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C(=NN=C4SC)C

InChI

InChI=1S/C27H26N4O3S/c1-4-24(25(32)31(21-11-7-5-8-12-21)22-13-9-6-10-14-22)34-26(33)20-15-17-23(18-16-20)30-19(2)28-29-27(30)35-3/h5-18,24H,4H2,1-3H3