(4-pyrazol-1-ylphenyl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)SCC(=O)N

InChI

InChI=1S/C19H17N3O3S/c20-18(23)13-26-17-5-2-1-4-16(17)19(24)25-12-14-6-8-15(9-7-14)22-11-3-10-21-22/h1-11H,12-13H2,(H2,20,23)