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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C23H20N6S MolecularWeight: 412.5101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC=NC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC=NC=C5)C

InChI

InChI=1S/C23H20N6S/c1-15-7-8-18(13-16(15)2)29-22(17-9-11-24-12-10-17)27-28-23(29)30-14-21-25-19-5-3-4-6-20(19)26-21/h3-13H,14H2,1-2H3,(H,25,26)