4-(2-azanyl-3,5-dicyano-6-phenylsulfanyl-pyridin-4-yl)benzoic acid

Systemtic Name: 4-(2-azanyl-3,5-dicyano-6-phenylsulfanyl-pyridin-4-yl)benzoic acid Openeye Name: 4-(2-amino-3,5-dicyano-6-phenylsulfanyl-4-pyridyl)benzoic acid CAS Name: 4-[2-amino-3,5-dicyano-6-(phenylthio)-4-pyridinyl]benzoic acid IUPAC Name: 4-(2-amino-3,5-dicyano-6-phenylsulfanylpyridin-4-yl)benzoic acid Traditional Name: 4-[2-amino-3,5-dicyano-6-(phenylthio)-4-pyridyl]benzoic acid Formula: C20H12N4O2S MolecularWeight: 372.39988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12N4O2S/c21-10-15-17(12-6-8-13(9-7-12)20(25)26)16(11-22)19(24-18(15)23)27-14-4-2-1-3-5-14/h1-9H,(H2,23,24)(H,25,26)