3-[4-(2,5-dimethoxyphenyl)-5-(3-methylbutylsulfanyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[4-(2,5-dimethoxyphenyl)-5-(3-methylbutylsulfanyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[4-(2,5-dimethoxyphenyl)-5-isopentylsulfanyl-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[4-(2,5-dimethoxyphenyl)-5-(3-methylbutylthio)-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[4-(2,5-dimethoxyphenyl)-5-(3-methylbutylsulfanyl)-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[4-(2,5-dimethoxyphenyl)-5-(isoamylthio)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NN=C(N1C2=C(C=CC(=C2)OC)OC)C3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)CCSC1=NN=C(N1C2=C(C=CC(=C2)OC)OC)C3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C23H30N4O4S2/c1-16(2)12-13-32-23-25-24-22(17-8-7-9-19(14-17)33(28,29)26(3)4)27(23)20-15-18(30-5)10-11-21(20)31-6/h7-11,14-16H,12-13H2,1-6H3