2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-pyridin-3-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-6-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-6-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-(3-pyridyl)nicotinonitrile Formula: C20H15N3OS MolecularWeight: 345.4176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3OS/c1-14-4-6-15(7-5-14)19(24)13-25-20-16(11-21)8-9-18(23-20)17-3-2-10-22-12-17/h2-10,12H,13H2,1H3