[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C24H20N4O3S/c29-23(27-21-8-4-5-9-22(21)32-20-6-2-1-3-7-20)15-31-24(30)19-12-10-18(11-13-19)14-28-17-25-16-26-28/h1-13,16-17H,14-15H2,(H,27,29)