3-azanyl-4-(4-cyanopyridin-3-yl)benzenecarbothioic S-acid

Systemtic Name: 3-azanyl-4-(4-cyanopyridin-3-yl)benzenecarbothioic S-acid Openeye Name: 3-amino-4-(4-cyano-3-pyridyl)benzenecarbothioic S-acid CAS Name: 3-amino-4-(4-cyano-3-pyridinyl)benzenecarbothioic S-acid IUPAC Name: 3-amino-4-(4-cyanopyridin-3-yl)benzenecarbothioic S-acid Traditional Name: 3-amino-4-(4-cyano-3-pyridyl)thiobenzoic acid Formula: C13H9N3OS MolecularWeight: 255.29506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)S)N)C2=C(C=CN=C2)C#N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)S)N)C2=C(C=CN=C2)C#N

InChI

InChI=1S/C13H9N3OS/c14-6-9-3-4-16-7-11(9)10-2-1-8(13(17)18)5-12(10)15/h1-5,7H,15H2,(H,17,18)