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

Systemtic Name: 3-[4-butan-2-yl-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-(5-acetonylsulfanyl-4-sec-butyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-butan-2-yl-5-(2-oxopropylthio)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-butan-2-yl-5-(2-oxopropylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-(acetonylthio)-4-sec-butyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C19H28N4O3S2 MolecularWeight: 424.58062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3S2/c1-6-14(4)23-18(20-21-19(23)27-13-15(5)24)16-10-9-11-17(12-16)28(25,26)22(7-2)8-3/h9-12,14H,6-8,13H2,1-5H3