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

Systemtic Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C18H17N5S MolecularWeight: 335.42608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H17N5S/c1-12-7-9-13(10-8-12)17-21-22-18(23(17)2)24-11-16-19-14-5-3-4-6-15(14)20-16/h3-10H,11H2,1-2H3,(H,19,20)