4-methyl-2-(3-methylbutylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 4-methyl-2-(3-methylbutylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-isopentylsulfanyl-4-methyl-pyridine-3-carbonitrile CAS Name: 4-methyl-2-(3-methylbutylthio)-3-pyridinecarbonitrile IUPAC Name: 4-methyl-2-(3-methylbutylsulfanyl)pyridine-3-carbonitrile Traditional Name: 2-(isoamylthio)-4-methyl-nicotinonitrile Formula: C12H16N2S MolecularWeight: 220.33384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)SCCC(C)C)C#N

Isomeric SMILES

CC1=C(C(=NC=C1)SCCC(C)C)C#N

InChI

InChI=1S/C12H16N2S/c1-9(2)5-7-15-12-11(8-13)10(3)4-6-14-12/h4,6,9H,5,7H2,1-3H3