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

Systemtic Name: 2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-6-phenyl-nicotinonitrile Formula: C22H18N2OS MolecularWeight: 358.45612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2OS/c1-15-8-10-19(16(2)12-15)21(25)14-26-22-18(13-23)9-11-20(24-22)17-6-4-3-5-7-17/h3-12H,14H2,1-2H3