2-[(E)-but-2-enyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(E)-but-2-enyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(E)-but-2-enyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[(E)-but-2-enyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[(E)-but-2-enyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[(E)-but-2-enyl]thio]-6-methyl-nicotinonitrile Formula: C13H14N2OS MolecularWeight: 246.32806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=NC(=C(C=C1C#N)C(=O)C)C

Isomeric SMILES

C/C=C/CSC1=NC(=C(C=C1C#N)C(=O)C)C

InChI

InChI=1S/C13H14N2OS/c1-4-5-6-17-13-11(8-14)7-12(10(3)16)9(2)15-13/h4-5,7H,6H2,1-3H3/b5-4+