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

Systemtic Name: 2-[[4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[5-(besylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19N5O2S2/c1-2-24-18(13-28(25,26)14-8-4-3-5-9-14)22-23-19(24)27-12-17-20-15-10-6-7-11-16(15)21-17/h3-11H,2,12-13H2,1H3,(H,20,21)