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

Systemtic Name: N,N-diethyl-3-[4-(phenylmethyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 3-(4-benzyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[4-(phenylmethyl)-5-(propylthio)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-benzyl-5-(propylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C22H28N4O2S2 MolecularWeight: 444.61332

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C22H28N4O2S2/c1-4-15-29-22-24-23-21(26(22)17-18-11-8-7-9-12-18)19-13-10-14-20(16-19)30(27,28)25(5-2)6-3/h7-14,16H,4-6,15,17H2,1-3H3