4-methyl-6-oxidanylidene-2-(2-oxidanylidenepentylsulfanyl)-1H-pyridine-3-carbonitrile

Systemtic Name: 4-methyl-6-oxidanylidene-2-(2-oxidanylidenepentylsulfanyl)-1H-pyridine-3-carbonitrile Openeye Name: 4-methyl-6-oxo-2-(2-oxopentylsulfanyl)-1H-pyridine-3-carbonitrile CAS Name: 4-methyl-6-oxo-2-(2-oxopentylthio)-1H-pyridine-3-carbonitrile IUPAC Name: 4-methyl-6-oxo-2-(2-oxopentylsulfanyl)-1H-pyridine-3-carbonitrile Traditional Name: 6-keto-2-(2-ketopentylthio)-4-methyl-1H-pyridine-3-carbonitrile Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CSC1=C(C(=CC(=O)N1)C)C#N

Isomeric SMILES

CCCC(=O)CSC1=C(C(=CC(=O)N1)C)C#N

InChI

InChI=1S/C12H14N2O2S/c1-3-4-9(15)7-17-12-10(6-13)8(2)5-11(16)14-12/h5H,3-4,7H2,1-2H3,(H,14,16)