6-ethanoyl-2-prop-2-ynylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-ethanoyl-2-prop-2-ynylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-acetyl-2-prop-2-ynylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-acetyl-2-(prop-2-ynylthio)-3-pyridinecarbonitrile IUPAC Name: 6-acetyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile Traditional Name: 6-acetyl-2-(propargylthio)nicotinonitrile Formula: C11H8N2OS MolecularWeight: 216.25902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC(=C(C=C1)C#N)SCC#C

Isomeric SMILES

CC(=O)C1=NC(=C(C=C1)C#N)SCC#C

InChI

InChI=1S/C11H8N2OS/c1-3-6-15-11-9(7-12)4-5-10(13-11)8(2)14/h1,4-5H,6H2,2H3