N,N-diethyl-3-(4-phenethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide

Systemtic Name: N,N-diethyl-3-(4-phenethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide Openeye Name: 3-(5-allylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[4-phenethyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-(4-phenethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide Traditional Name: 3-[5-(allylthio)-4-phenethyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC=C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC=C

InChI

InChI=1S/C23H28N4O2S2/c1-4-17-30-23-25-24-22(27(23)16-15-19-11-8-7-9-12-19)20-13-10-14-21(18-20)31(28,29)26(5-2)6-3/h4,7-14,18H,1,5-6,15-17H2,2-3H3