1-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole

Systemtic Name: 1-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Openeye Name: 1-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole CAS Name: 1-[5-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole IUPAC Name: 1-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Traditional Name: 1-[5-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]benzotriazole Formula: C22H16N8S MolecularWeight: 424.48104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C22H16N8S/c1-2-8-15(9-3-1)29-21(30-19-13-7-6-12-18(19)25-28-30)26-27-22(29)31-14-20-23-16-10-4-5-11-17(16)24-20/h1-13H,14H2,(H,23,24)