3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(1H-benzimidazol-2-ylmethylthio)-4-methyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-(1H-benzimidazol-2-ylmethylthio)-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H24N6O2S2 MolecularWeight: 456.58426

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N6O2S2/c1-4-27(5-2)31(28,29)16-10-8-9-15(13-16)20-24-25-21(26(20)3)30-14-19-22-17-11-6-7-12-18(17)23-19/h6-13H,4-5,14H2,1-3H3,(H,22,23)