N,N-diethyl-3-[5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-(5-isobutylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide CAS Name: N,N-diethyl-3-[5-(2-methylpropylthio)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-(isobutylthio)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C22H28N4O2S2 MolecularWeight: 444.61332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(C)C

InChI

InChI=1S/C22H28N4O2S2/c1-5-25(6-2)30(27,28)20-14-10-11-18(15-20)21-23-24-22(29-16-17(3)4)26(21)19-12-8-7-9-13-19/h7-15,17H,5-6,16H2,1-4H3