2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C28H22N2OS MolecularWeight: 434.55208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C28H22N2OS/c1-19-13-14-23(15-20(19)2)27(31)18-32-28-25(17-29)24(21-9-5-3-6-10-21)16-26(30-28)22-11-7-4-8-12-22/h3-16H,18H2,1-2H3