N,N-dimethyl-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzenesulfonamide Formula: C16H18N4O2S3 MolecularWeight: 394.53472

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C16H18N4O2S3/c1-20(2)25(21,22)14-7-3-5-12(9-14)11-24-16-17-15(18-19-16)10-13-6-4-8-23-13/h3-9H,10-11H2,1-2H3,(H,17,18,19)