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

Systemtic Name: N,N-dimethyl-3-[4-(3-methylphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 3-[5-isobutylsulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: N,N-dimethyl-3-[4-(3-methylphenyl)-5-(2-methylpropylthio)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[4-(3-methylphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: 3-[5-(isobutylthio)-4-(m-tolyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(C)C)C3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(C)C)C3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H26N4O2S2/c1-15(2)14-28-21-23-22-20(25(21)18-10-6-8-16(3)12-18)17-9-7-11-19(13-17)29(26,27)24(4)5/h6-13,15H,14H2,1-5H3