2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C23H19N5S MolecularWeight: 397.49546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H19N5S/c1-16-11-13-17(14-12-16)22-26-27-23(28(22)18-7-3-2-4-8-18)29-15-21-24-19-9-5-6-10-20(19)25-21/h2-14H,15H2,1H3,(H,24,25)