1-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)ethanolate

Systemtic Name: 1-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)ethanolate Openeye Name: 1-[5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate CAS Name: 1-[5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-4H-pyridin-3-ylidene]ethanolate IUPAC Name: 1-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)ethanolate Traditional Name: 1-[5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-4H-pyridin-3-ylidene]ethanolate Formula: C14H12N3OS- MolecularWeight: 270.32958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C(C)[O-])C2=CN=CC=C2)C#N)S

Isomeric SMILES

CC1=NC(=C(C(C1=C(C)[O-])C2=CN=CC=C2)C#N)S

InChI

InChI=1S/C14H13N3OS/c1-8-12(9(2)18)13(10-4-3-5-16-7-10)11(6-15)14(19)17-8/h3-5,7,13,18-19H,1-2H3/p-1