3-[3-(4-methoxyphenoxy)propylsulfanyl]-4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazole

Systemtic Name: 3-[3-(4-methoxyphenoxy)propylsulfanyl]-4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-5-[3-(4-methoxyphenoxy)propylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[3-(4-methoxyphenoxy)propylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[3-(4-methoxyphenoxy)propylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(besylmethyl)-5-[3-(4-methoxyphenoxy)propylthio]-4-phenyl-1,2,4-triazole Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)OCCCSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S2/c1-31-21-13-15-22(16-14-21)32-17-8-18-33-25-27-26-24(28(25)20-9-4-2-5-10-20)19-34(29,30)23-11-6-3-7-12-23/h2-7,9-16H,8,17-19H2,1H3