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

Systemtic Name: methyl 3-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanylbenzoate Openeye Name: methyl 3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]sulfanyl]benzoate CAS Name: 3-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-2-yl)sulfanylbenzoate Traditional Name: 3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]benzoic acid methyl ester Formula: C19H12N4O2S2 MolecularWeight: 392.45418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N

InChI

InChI=1S/C19H12N4O2S2/c1-25-19(24)11-4-2-5-12(8-11)27-18-14(10-21)16(15-6-3-7-26-15)13(9-20)17(22)23-18/h2-8H,1H3,(H2,22,23)