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

Systemtic Name: methyl 4-[2-azanyl-6-(3-chlorophenyl)sulfanyl-3,5-dicyano-pyridin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-6-(3-chlorophenyl)sulfanyl-3,5-dicyano-4-pyridyl]benzoate CAS Name: 4-[2-amino-6-[(3-chlorophenyl)thio]-3,5-dicyano-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-6-(3-chlorophenyl)sulfanyl-3,5-dicyanopyridin-4-yl]benzoate Traditional Name: 4-[2-amino-6-[(3-chlorophenyl)thio]-3,5-dicyano-4-pyridyl]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=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC(=CC=C3)Cl)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC(=CC=C3)Cl)N)C#N

InChI

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