3-[4-butan-2-yl-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-butan-2-yl-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-[5-(2-methylallylsulfanyl)-4-sec-butyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: 3-[4-butan-2-yl-5-(2-methylprop-2-enylthio)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-butan-2-yl-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: N,N-diethyl-3-[5-(2-methylallylthio)-4-sec-butyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C20H30N4O2S2 MolecularWeight: 422.6078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SCC(=C)C)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCC(C)N1C(=NN=C1SCC(=C)C)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C20H30N4O2S2/c1-7-16(6)24-19(21-22-20(24)27-14-15(4)5)17-11-10-12-18(13-17)28(25,26)23(8-2)9-3/h10-13,16H,4,7-9,14H2,1-3,5-6H3