4-[2-(2-azanylpyridin-4-yl)-4-cyano-5-methylsulfanyl-thiophen-3-yl]benzoic acid

Systemtic Name: 4-[2-(2-azanylpyridin-4-yl)-4-cyano-5-methylsulfanyl-thiophen-3-yl]benzoic acid Openeye Name: 4-[2-(2-amino-4-pyridyl)-4-cyano-5-methylsulfanyl-3-thienyl]benzoic acid CAS Name: 4-[2-(2-amino-4-pyridinyl)-4-cyano-5-(methylthio)-3-thiophenyl]benzoic acid IUPAC Name: 4-[2-(2-aminopyridin-4-yl)-4-cyano-5-methylsulfanylthiophen-3-yl]benzoic acid Traditional Name: 4-[2-(2-amino-4-pyridyl)-4-cyano-5-(methylthio)-3-thienyl]benzoic acid Formula: C18H13N3O2S2 MolecularWeight: 367.44472

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=CC(=NC=C2)N)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=CC(=NC=C2)N)C3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C18H13N3O2S2/c1-24-18-13(9-19)15(10-2-4-11(5-3-10)17(22)23)16(25-18)12-6-7-21-14(20)8-12/h2-8H,1H3,(H2,20,21)(H,22,23)