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

Systemtic Name: (phenylmethyl) 2-[6-azanyl-4-(2-chlorophenyl)-3,5-dicyano-pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridyl]thio]acetic acid benzyl ester Formula: C22H15ClN4O2S MolecularWeight: 434.8981

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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)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C22H15ClN4O2S/c23-18-9-5-4-8-15(18)20-16(10-24)21(26)27-22(17(20)11-25)30-13-19(28)29-12-14-6-2-1-3-7-14/h1-9H,12-13H2,(H2,26,27)