3-(1,2-diazepin-1-yl)pyridine-2-carbothioic S-acid

Systemtic Name: 3-(1,2-diazepin-1-yl)pyridine-2-carbothioic S-acid Openeye Name: 3-(diazepin-1-yl)pyridine-2-carbothioic S-acid CAS Name: 3-(1-diazepinyl)-2-pyridinecarbothioic S-acid IUPAC Name: 3-(diazepin-1-yl)pyridine-2-carbothioic S-acid Traditional Name: 3-(diazepin-1-yl)thiopicolinic acid Formula: C11H9N3OS MolecularWeight: 231.27366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NN(C=C1)C2=C(N=CC=C2)C(=O)S

Isomeric SMILES

C1=CC=NN(C=C1)C2=C(N=CC=C2)C(=O)S

InChI

InChI=1S/C11H9N3OS/c15-11(16)10-9(5-4-6-12-10)14-8-3-1-2-7-13-14/h1-8H,(H,15,16)