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

Systemtic Name: 5-ethanoyl-6-methyl-2-prop-2-ynylsulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-prop-2-ynylsulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(prop-2-ynylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-(propargylthio)nicotinonitrile Formula: C12H10N2OS MolecularWeight: 230.2856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC#C)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC#C)C#N)C(=O)C

InChI

InChI=1S/C12H10N2OS/c1-4-5-16-12-10(7-13)6-11(9(3)15)8(2)14-12/h1,6H,5H2,2-3H3