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

Systemtic Name: 3-[4-(2,6-dimethylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[4-(2,6-dimethylphenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[4-(2,6-dimethylphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[4-(2,6-dimethylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[4-(2,6-dimethylphenyl)-5-(isopropylthio)-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=C(C(=CC=C1)C)N2C(=NN=C2SC(C)C)C3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=C2SC(C)C)C3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

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