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

Systemtic Name: (phenylmethyl) 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetic acid benzyl ester Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N

InChI

InChI=1S/C16H12N4O2S/c17-7-12-6-13(8-18)16(20-15(12)19)23-10-14(21)22-9-11-4-2-1-3-5-11/h1-6H,9-10H2,(H2,19,20)