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

Systemtic Name: 4-[(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(6-amino-3,5-dicyano-2-pyridyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(6-amino-3,5-dicyano-2-pyridinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(6-amino-3,5-dicyano-2-pyridyl)thio]methyl]benzoic acid Formula: C15H10N4O2S MolecularWeight: 310.3305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C=C(C(=N2)N)C#N)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C=C(C(=N2)N)C#N)C#N)C(=O)O

InChI

InChI=1S/C15H10N4O2S/c16-6-11-5-12(7-17)14(19-13(11)18)22-8-9-1-3-10(4-2-9)15(20)21/h1-5H,8H2,(H2,18,19)(H,20,21)