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

Systemtic Name: N,N-diethyl-4-[4-ethyl-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 4-(5-acetonylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-ethyl-5-(2-oxopropylthio)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-ethyl-5-(2-oxopropylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: 4-[5-(acetonylthio)-4-ethyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C17H24N4O3S2 MolecularWeight: 396.52746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C17H24N4O3S2/c1-5-20(6-2)26(23,24)15-10-8-14(9-11-15)16-18-19-17(21(16)7-3)25-12-13(4)22/h8-11H,5-7,12H2,1-4H3