6-(4-methylphenyl)-2-phenacylsulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-phenacylsulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-phenacylsulfanyl-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-2-(phenacylthio)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-methylphenyl)-2-phenacylsulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 2-(phenacylthio)-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C27H20N2OS MolecularWeight: 420.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H20N2OS/c1-19-12-14-21(15-13-19)25-16-23(20-8-4-2-5-9-20)24(17-28)27(29-25)31-18-26(30)22-10-6-3-7-11-22/h2-16H,18H2,1H3