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

Systemtic Name: 4-(4-chlorophenyl)-6-(4-methylphenyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-2-phenacylsulfanyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-(4-methylphenyl)-2-(phenacylthio)-3-pyridinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-(4-methylphenyl)-2-phenacylsulfanylpyridine-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-2-(phenacylthio)-6-(p-tolyl)nicotinonitrile Formula: C27H19ClN2OS MolecularWeight: 454.97056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19ClN2OS/c1-18-7-9-20(10-8-18)25-15-23(19-11-13-22(28)14-12-19)24(16-29)27(30-25)32-17-26(31)21-5-3-2-4-6-21/h2-15H,17H2,1H3