[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C19H17BrN2O3S MolecularWeight: 433.31888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN2O3S/c20-15-6-8-16(9-7-15)26-13-19(24)25-12-18(23)22-11-10-17(21-22)14-4-2-1-3-5-14/h1-9H,10-13H2