4-[2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]ethoxy]benzenesulfonamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=C(C=C3)S(=O)(=O)N)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=C(C=C3)S(=O)(=O)N)N4CCCC4

InChI

InChI=1S/C21H25N5O3S2/c1-16-4-6-17(7-5-16)26-20(25-12-2-3-13-25)23-24-21(26)30-15-14-29-18-8-10-19(11-9-18)31(22,27)28/h4-11H,2-3,12-15H2,1H3,(H2,22,27,28)