3,4-dimethyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-isobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3,4-dimethyl-benzenesulfonamide CAS Name: 3,4-dimethyl-N-[3-[4-(2-methylpropyl)-5-(methylthio)-1,2,4-triazol-3-yl]propyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]benzenesulfonamide Traditional Name: N-[3-[4-isobutyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3,4-dimethyl-benzenesulfonamide Formula: C18H28N4O2S2 MolecularWeight: 396.57052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC2=NN=C(N2CC(C)C)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC2=NN=C(N2CC(C)C)SC)C

InChI

InChI=1S/C18H28N4O2S2/c1-13(2)12-22-17(20-21-18(22)25-5)7-6-10-19-26(23,24)16-9-8-14(3)15(4)11-16/h8-9,11,13,19H,6-7,10,12H2,1-5H3