phenacyl 3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoate

Systemtic Name: phenacyl 3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: phenacyl 3-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanoate CAS Name: 3-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanoate Traditional Name: 3-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]propionic acid phenacyl ester Formula: C29H22N2O3S MolecularWeight: 478.56158

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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=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H22N2O3S/c30-19-25-24(21-10-4-1-5-11-21)18-26(22-12-6-2-7-13-22)31-29(25)35-17-16-28(33)34-20-27(32)23-14-8-3-9-15-23/h1-15,18H,16-17,20H2