2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]acetic acid CAS Name: 2-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]acetic acid Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2S/c1-6(2)10-7(3-13)11(15)16-12(8(10)4-14)19-5-9(17)18/h6H,5H2,1-2H3,(H2,15,16)(H,17,18)