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

Systemtic Name: N,N-dimethyl-3-[4-(3-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[4-(m-tolyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[4-(3-methylphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[4-(3-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[4-(m-tolyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC(=CC=C4)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC(=CC=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C23H28N4O3S2/c1-17-8-6-10-19(14-17)27-22(18-9-7-12-21(15-18)32(28,29)26(2)3)24-25-23(27)31-16-20-11-4-5-13-30-20/h6-10,12,14-15,20H,4-5,11,13,16H2,1-3H3