2-(benzotriazol-1-yl)pyridine-3-carbothioamide

Systemtic Name: 2-(benzotriazol-1-yl)pyridine-3-carbothioamide Openeye Name: 2-(benzotriazol-1-yl)pyridine-3-carbothioamide CAS Name: 2-(1-benzotriazolyl)-3-pyridinecarbothioamide IUPAC Name: 2-(benzotriazol-1-yl)pyridine-3-carbothioamide Traditional Name: 2-(benzotriazol-1-yl)thionicotinamide Formula: C12H9N5S MolecularWeight: 255.29836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C=CC=N3)C(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=CC=N3)C(=S)N

InChI

InChI=1S/C12H9N5S/c13-11(18)8-4-3-7-14-12(8)17-10-6-2-1-5-9(10)15-16-17/h1-7H,(H2,13,18)