methyl 2-[6-azanyl-3,5-dicyano-4-(2-methylpropyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-azanyl-3,5-dicyano-4-(2-methylpropyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[(6-amino-3,5-dicyano-4-isobutyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-methylpropyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-amino-3,5-dicyano-4-(2-methylpropyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-4-isobutyl-2-pyridyl)thio]acetic acid methyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC(=C1C#N)SCC(=O)OC)N)C#N

Isomeric SMILES

CC(C)CC1=C(C(=NC(=C1C#N)SCC(=O)OC)N)C#N

InChI

InChI=1S/C14H16N4O2S/c1-8(2)4-9-10(5-15)13(17)18-14(11(9)6-16)21-7-12(19)20-3/h8H,4,7H2,1-3H3,(H2,17,18)