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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-(4-methylphenyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C21H17N7S MolecularWeight: 399.47158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N7S/c1-14-6-8-15(9-7-14)28-20(18-12-22-10-11-23-18)26-27-21(28)29-13-19-24-16-4-2-3-5-17(16)25-19/h2-12H,13H2,1H3,(H,24,25)