3-[4-butan-2-yl-5-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-butan-2-yl-5-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-[5-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]sulfanyl-4-sec-butyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: 3-[4-butan-2-yl-5-[[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-butan-2-yl-5-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: N,N-diethyl-3-[5-[[2-keto-2-(1-methylpyrrol-2-yl)ethyl]thio]-4-sec-butyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C23H31N5O3S2 MolecularWeight: 489.65394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SCC(=O)C2=CC=CN2C)C3=CC(=CC=C3)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCC(C)N1C(=NN=C1SCC(=O)C2=CC=CN2C)C3=CC(=CC=C3)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C23H31N5O3S2/c1-6-17(4)28-22(18-11-9-12-19(15-18)33(30,31)27(7-2)8-3)24-25-23(28)32-16-21(29)20-13-10-14-26(20)5/h9-15,17H,6-8,16H2,1-5H3