3-[4-(4-chloranylphenoxy)butylsulfanyl]-5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[4-(4-chloranylphenoxy)butylsulfanyl]-5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzenesulfonylmethyl)-5-[4-(4-chlorophenoxy)butylsulfanyl]-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[4-(4-chlorophenoxy)butylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[4-(4-chlorophenoxy)butylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(besylmethyl)-5-[4-(4-chlorophenoxy)butylthio]-1,2,4-triazole Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCCCOC2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCCCCOC2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24ClN3O3S2/c1-2-14-26-21(17-31(27,28)20-8-4-3-5-9-20)24-25-22(26)30-16-7-6-15-29-19-12-10-18(23)11-13-19/h2-5,8-13H,1,6-7,14-17H2