N-[(4-ethyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(4-ethyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(4-ethyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[4-ethyl-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(4-ethyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methylbenzenesulfonamide Traditional Name: N-[[4-ethyl-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-4-methyl-benzenesulfonamide Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC2=CC=CC=C2)CNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCCC2=CC=CC=C2)CNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H24N4O2S2/c1-3-24-19(15-21-28(25,26)18-11-9-16(2)10-12-18)22-23-20(24)27-14-13-17-7-5-4-6-8-17/h4-12,21H,3,13-15H2,1-2H3