N-(benzotriazol-1-ylmethyl)pyridine-3-carbothioamide

Systemtic Name: N-(benzotriazol-1-ylmethyl)pyridine-3-carbothioamide Openeye Name: N-(benzotriazol-1-ylmethyl)pyridine-3-carbothioamide CAS Name: N-(1-benzotriazolylmethyl)-3-pyridinecarbothioamide IUPAC Name: N-(benzotriazol-1-ylmethyl)pyridine-3-carbothioamide Traditional Name: N-(benzotriazol-1-ylmethyl)thionicotinamide Formula: C13H11N5S MolecularWeight: 269.32494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CNC(=S)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CNC(=S)C3=CN=CC=C3

InChI

InChI=1S/C13H11N5S/c19-13(10-4-3-7-14-8-10)15-9-18-12-6-2-1-5-11(12)16-17-18/h1-8H,9H2,(H,15,19)