3-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H24N4O2S2/c1-24(2)29(26,27)19-10-6-9-17(13-19)15-28-21-23-22-20(18-11-12-18)25(21)14-16-7-4-3-5-8-16/h3-10,13,18H,11-12,14-15H2,1-2H3