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

Systemtic Name: N,N-diethyl-3-[5-(3-oxidanylidenebutylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 3-[4-benzyl-5-(3-oxobutylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[5-(3-oxobutylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 3-[4-benzyl-5-(3-oxobutylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-benzyl-5-(3-ketobutylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCCC(=O)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCCC(=O)C

InChI

InChI=1S/C23H28N4O3S2/c1-4-26(5-2)32(29,30)21-13-9-12-20(16-21)22-24-25-23(31-15-14-18(3)28)27(22)17-19-10-7-6-8-11-19/h6-13,16H,4-5,14-15,17H2,1-3H3