[2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-(2-benzylsulfanylanilino)-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-oxo-2-[2-(phenylmethylthio)anilino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylanilino)-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-[2-(benzylthio)anilino]-2-keto-ethyl] ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C26H23N3O3S/c30-25(28-23-9-4-5-10-24(23)33-19-21-7-2-1-3-8-21)18-32-26(31)22-13-11-20(12-14-22)17-29-16-6-15-27-29/h1-16H,17-19H2,(H,28,30)