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

Systemtic Name: methyl 3-[6-azanyl-4-(4-chlorophenyl)-3,5-dicyano-pyridin-2-yl]sulfanylbenzoate Openeye Name: methyl 3-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridyl]sulfanyl]benzoate CAS Name: 3-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-[6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanylbenzoate Traditional Name: 3-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridyl]thio]benzoic acid methyl ester Formula: C21H13ClN4O2S MolecularWeight: 420.87152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H13ClN4O2S/c1-28-21(27)13-3-2-4-15(9-13)29-20-17(11-24)18(16(10-23)19(25)26-20)12-5-7-14(22)8-6-12/h2-9H,1H3,(H2,25,26)