N,N-diethyl-3-[4-(2-methylpropyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-(2-methylpropyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-isobutyl-5-[2-(2-pyridyl)ethylsulfanyl]-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[4-(2-methylpropyl)-5-[2-(2-pyridinyl)ethylthio]-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-(2-methylpropyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-isobutyl-5-[2-(2-pyridyl)ethylthio]-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C23H31N5O2S2 MolecularWeight: 473.65454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC(C)C)SCCC3=CC=CC=N3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC(C)C)SCCC3=CC=CC=N3

InChI

InChI=1S/C23H31N5O2S2/c1-5-27(6-2)32(29,30)21-12-9-10-19(16-21)22-25-26-23(28(22)17-18(3)4)31-15-13-20-11-7-8-14-24-20/h7-12,14,16,18H,5-6,13,15,17H2,1-4H3