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

Systemtic Name: N,N-diethyl-3-[5-(3-oxidanylidenebutylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[5-(3-oxobutylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[5-(3-oxobutylthio)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[5-(3-oxobutylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-(3-ketobutylthio)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)C

InChI

InChI=1S/C22H26N4O3S2/c1-4-25(5-2)31(28,29)20-13-9-10-18(16-20)21-23-24-22(30-15-14-17(3)27)26(21)19-11-7-6-8-12-19/h6-13,16H,4-5,14-15H2,1-3H3