1-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]benzimidazole

Systemtic Name: 1-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]benzimidazole Openeye Name: 1-(1H-benzimidazol-2-ylmethylsulfanyl)-4-benzyl-[1,2,4]triazolo[4,3-a]benzimidazole CAS Name: 1-(1H-benzimidazol-2-ylmethylthio)-4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]benzimidazole IUPAC Name: 1-(1H-benzimidazol-2-ylmethylsulfanyl)-4-benzyl-[1,2,4]triazolo[4,3-a]benzimidazole Traditional Name: 1-(1H-benzimidazol-2-ylmethylthio)-4-benzyl-[1,2,4]triazolo[4,3-a]benzimidazole Formula: C23H18N6S MolecularWeight: 410.49422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NN=C4SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NN=C4SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C23H18N6S/c1-2-8-16(9-3-1)14-28-19-12-6-7-13-20(19)29-22(28)26-27-23(29)30-15-21-24-17-10-4-5-11-18(17)25-21/h1-13H,14-15H2,(H,24,25)