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

Systemtic Name: N,N-diethyl-3-[5-(2-methylpropylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 3-(4-benzyl-5-isobutylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[5-(2-methylpropylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 3-[4-benzyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-benzyl-5-(isobutylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C23H30N4O2S2 MolecularWeight: 458.6399

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(C)C

InChI

InChI=1S/C23H30N4O2S2/c1-5-26(6-2)31(28,29)21-14-10-13-20(15-21)22-24-25-23(30-17-18(3)4)27(22)16-19-11-8-7-9-12-19/h7-15,18H,5-6,16-17H2,1-4H3