4,6-dimethyl-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[4-oxo-4-(2-thienyl)butyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(4-oxo-4-thiophen-2-ylbutyl)thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-(4-oxo-4-thiophen-2-ylbutyl)sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[4-keto-4-(2-thienyl)butyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C16H16N2OS2 MolecularWeight: 316.44104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCCC(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCCC(=O)C2=CC=CS2)C

InChI

InChI=1S/C16H16N2OS2/c1-11-9-12(2)18-16(13(11)10-17)21-8-3-5-14(19)15-6-4-7-20-15/h4,6-7,9H,3,5,8H2,1-2H3