methyl 4-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanylbenzoate

Systemtic Name: methyl 4-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanylbenzoate Openeye Name: methyl 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]benzoate CAS Name: 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanylbenzoate Traditional Name: 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]benzoic acid methyl ester Formula: C21H14N4O2S MolecularWeight: 386.42646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N4O2S/c1-27-21(26)14-7-9-15(10-8-14)28-20-17(12-23)18(13-5-3-2-4-6-13)16(11-22)19(24)25-20/h2-10H,1H3,(H2,24,25)