6-ethyl-5-methyl-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-ethyl-5-methyl-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-ethyl-5-methyl-2-[4-oxo-4-(2-thienyl)butyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-ethyl-5-methyl-2-[(4-oxo-4-thiophen-2-ylbutyl)thio]-3-pyridinecarbonitrile IUPAC Name: 6-ethyl-5-methyl-2-(4-oxo-4-thiophen-2-ylbutyl)sulfanylpyridine-3-carbonitrile Traditional Name: 6-ethyl-2-[[4-keto-4-(2-thienyl)butyl]thio]-5-methyl-nicotinonitrile Formula: C17H18N2OS2 MolecularWeight: 330.46762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCCCC(=O)C2=CC=CS2)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCCCC(=O)C2=CC=CS2)C#N)C

InChI

InChI=1S/C17H18N2OS2/c1-3-14-12(2)10-13(11-18)17(19-14)22-9-4-6-15(20)16-7-5-8-21-16/h5,7-8,10H,3-4,6,9H2,1-2H3