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

Systemtic Name: N,N-dimethyl-3-[4-(3-methylphenyl)-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 3-[5-acetonylsulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: N,N-dimethyl-3-[4-(3-methylphenyl)-5-(2-oxopropylthio)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[4-(3-methylphenyl)-5-(2-oxopropylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: 3-[5-(acetonylthio)-4-(m-tolyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S2/c1-14-7-5-9-17(11-14)24-19(21-22-20(24)28-13-15(2)25)16-8-6-10-18(12-16)29(26,27)23(3)4/h5-12H,13H2,1-4H3