3-[(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanylmethyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N)C(=O)O

InChI

InChI=1S/C19H12N4O2S2/c20-8-13-16(15-5-2-6-26-15)14(9-21)18(23-17(13)22)27-10-11-3-1-4-12(7-11)19(24)25/h1-7H,10H2,(H2,22,23)(H,24,25)