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

Systemtic Name: N,N-diethyl-3-[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[4-(3-methoxyphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-(3-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-(3-methoxyphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC(=CC=C2)OC)C3=CC(=CC=C3)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC(=CC=C2)OC)C3=CC(=CC=C3)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C22H28N4O3S2/c1-5-14-30-22-24-23-21(26(22)18-11-9-12-19(16-18)29-4)17-10-8-13-20(15-17)31(27,28)25(6-2)7-3/h8-13,15-16H,5-7,14H2,1-4H3