4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonate

Systemtic Name: 4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonate Openeye Name: 4-benzyl-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonate CAS Name: 4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonate IUPAC Name: 4-benzyl-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonate Traditional Name: 4-benzyl-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonate Formula: C15H11N4O3S- MolecularWeight: 327.33784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NN=C4S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NN=C4S(=O)(=O)[O-]

InChI

InChI=1S/C15H12N4O3S/c20-23(21,22)15-17-16-14-18(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)19(14)15/h1-9H,10H2,(H,20,21,22)/p-1