5-ethyl-4,6-dimethyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethyl-4,6-dimethyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-ethyl-4,6-dimethyl-2-(4-oxo-4-phenyl-butyl)sulfanyl-pyridine-3-carbonitrile CAS Name: 5-ethyl-4,6-dimethyl-2-[(4-oxo-4-phenylbutyl)thio]-3-pyridinecarbonitrile IUPAC Name: 5-ethyl-4,6-dimethyl-2-(4-oxo-4-phenylbutyl)sulfanylpyridine-3-carbonitrile Traditional Name: 5-ethyl-2-[(4-keto-4-phenyl-butyl)thio]-4,6-dimethyl-nicotinonitrile Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=C1C)C#N)SCCCC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(N=C(C(=C1C)C#N)SCCCC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C20H22N2OS/c1-4-17-14(2)18(13-21)20(22-15(17)3)24-12-8-11-19(23)16-9-6-5-7-10-16/h5-7,9-10H,4,8,11-12H2,1-3H3