6-methyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-methyl-2-(4-oxo-4-phenyl-butyl)sulfanyl-pyridine-3-carbonitrile CAS Name: 6-methyl-2-[(4-oxo-4-phenylbutyl)thio]-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-(4-oxo-4-phenylbutyl)sulfanylpyridine-3-carbonitrile Traditional Name: 2-[(4-keto-4-phenyl-butyl)thio]-6-methyl-nicotinonitrile Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCCCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H16N2OS/c1-13-9-10-15(12-18)17(19-13)21-11-5-8-16(20)14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11H2,1H3