3-[4-(2,6-dimethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[4-(2,6-dimethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[4-(2,6-dimethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[4-(2,6-dimethylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[4-(2,6-dimethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[4-(2,6-dimethylphenyl)-5-(propylthio)-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:

CCCSC1=NN=C(N1C2=C(C=CC=C2C)C)C3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CCCSC1=NN=C(N1C2=C(C=CC=C2C)C)C3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H26N4O2S2/c1-6-13-28-21-23-22-20(25(21)19-15(2)9-7-10-16(19)3)17-11-8-12-18(14-17)29(26,27)24(4)5/h7-12,14H,6,13H2,1-5H3