methyl 2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]acetic acid methyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=C1C#N)SCC(=O)OC)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC(=C1C#N)SCC(=O)OC)N)C#N

InChI

InChI=1S/C13H14N4O2S/c1-7(2)11-8(4-14)12(16)17-13(9(11)5-15)20-6-10(18)19-3/h7H,6H2,1-3H3,(H2,16,17)