[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanoate CAS Name: 3-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]propanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanoate Traditional Name: 3-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C29H21BrN2O3S MolecularWeight: 557.45764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C29H21BrN2O3S/c30-23-13-11-22(12-14-23)27(33)19-35-28(34)15-16-36-29-25(18-31)24(20-7-3-1-4-8-20)17-26(32-29)21-9-5-2-6-10-21/h1-14,17H,15-16,19H2