5-(benzimidazol-1-ylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(benzimidazol-1-ylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(benzimidazol-1-ylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-(1-benzimidazolylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(benzimidazol-1-ylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(benzimidazol-1-ylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C16H12N5S- MolecularWeight: 306.36498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2[S-])CN3C=NC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2[S-])CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C16H13N5S/c22-16-19-18-15(21(16)12-6-2-1-3-7-12)10-20-11-17-13-8-4-5-9-14(13)20/h1-9,11H,10H2,(H,19,22)/p-1