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

Systemtic Name: (phenylmethyl) 2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(6-amino-3,5-dicyano-4-methylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)thio]acetic acid benzyl ester Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1C#N)SCC(=O)OCC2=CC=CC=C2)N)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1C#N)SCC(=O)OCC2=CC=CC=C2)N)C#N

InChI

InChI=1S/C17H14N4O2S/c1-11-13(7-18)16(20)21-17(14(11)8-19)24-10-15(22)23-9-12-5-3-2-4-6-12/h2-6H,9-10H2,1H3,(H2,20,21)