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

Systemtic Name: 3-[3-(4-methoxyphenoxy)propylsulfanyl]-5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzenesulfonylmethyl)-5-[3-(4-methoxyphenoxy)propylsulfanyl]-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[3-(4-methoxyphenoxy)propylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[3-(4-methoxyphenoxy)propylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(besylmethyl)-5-[3-(4-methoxyphenoxy)propylthio]-1,2,4-triazole Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCSC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCCCSC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S2/c1-3-14-25-21(17-31(26,27)20-8-5-4-6-9-20)23-24-22(25)30-16-7-15-29-19-12-10-18(28-2)11-13-19/h3-6,8-13H,1,7,14-17H2,2H3