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

Systemtic Name: N,N-diethyl-3-[5-(2-hydroxyethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 3-[4-benzyl-5-(2-hydroxyethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[5-(2-hydroxyethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 3-[4-benzyl-5-(2-hydroxyethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-benzyl-5-(2-hydroxyethylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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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)SCCO

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S2/c1-3-24(4-2)30(27,28)19-12-8-11-18(15-19)20-22-23-21(29-14-13-26)25(20)16-17-9-6-5-7-10-17/h5-12,15,26H,3-4,13-14,16H2,1-2H3