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

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CCOC)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CCOC)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N5OS/c1-14-6-5-7-15(12-14)19-23-24-20(25(19)10-11-26-2)27-13-18-21-16-8-3-4-9-17(16)22-18/h3-9,12H,10-11,13H2,1-2H3,(H,21,22)