4-azanyl-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-azanyl-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-amino-5-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-amino-5-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-amino-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-amino-5-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1,2,4-triazole-3-thiolate Formula: C15H12N7S- MolecularWeight: 322.36768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=NN=C(N3N)[S-])C4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=NN=C(N3N)[S-])C4=CC=CC=N4

InChI

InChI=1S/C15H13N7S/c16-22-13(19-20-15(22)23)9-21-12-7-2-1-5-10(12)18-14(21)11-6-3-4-8-17-11/h1-8H,9,16H2,(H,20,23)/p-1