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

Systemtic Name: 1-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole Openeye Name: 1-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole CAS Name: 1-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole IUPAC Name: 1-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole Traditional Name: 1-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole Formula: C22H16N6S MolecularWeight: 396.46764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N4C2=NN=C4SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N4C2=NN=C4SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C22H16N6S/c1-2-8-15(9-3-1)27-18-12-6-7-13-19(18)28-21(27)25-26-22(28)29-14-20-23-16-10-4-5-11-17(16)24-20/h1-13H,14H2,(H,23,24)