6-(4-methylphenyl)-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-methylphenyl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C27H19N3O3S MolecularWeight: 465.52306

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H19N3O3S/c1-18-7-9-20(10-8-18)25-15-23(19-5-3-2-4-6-19)24(16-28)27(29-25)34-17-26(31)21-11-13-22(14-12-21)30(32)33/h2-15H,17H2,1H3