S-[1-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-3-oxidanylidene-3-phenyl-propyl] ethanethioate

Systemtic Name: S-[1-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-3-oxidanylidene-3-phenyl-propyl] ethanethioate Openeye Name: S-[3-oxo-3-phenyl-1-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[1-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-3-oxo-3-phenylpropyl] ester IUPAC Name: S-[1-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-phenylpropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-keto-3-phenyl-1-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]propyl] ester Formula: C27H24N2O2S MolecularWeight: 440.55666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(CC(=O)C3=CC=CC=C3)SC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(CC(=O)C3=CC=CC=C3)SC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O2S/c1-19-13-15-22(16-14-19)27-24(18-29(28-27)23-11-7-4-8-12-23)26(32-20(2)30)17-25(31)21-9-5-3-6-10-21/h3-16,18,26H,17H2,1-2H3