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

Systemtic Name: 2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-allyl-5-(benzenesulfonylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-allyl-5-(besylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2S2/c1-2-12-25-19(14-29(26,27)15-8-4-3-5-9-15)23-24-20(25)28-13-18-21-16-10-6-7-11-17(16)22-18/h2-11H,1,12-14H2,(H,21,22)