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

Systemtic Name: 3-[2-(4-chloranylphenoxy)ethylsulfanyl]-5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzenesulfonylmethyl)-5-[2-(4-chlorophenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[2-(4-chlorophenoxy)ethylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[2-(4-chlorophenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(besylmethyl)-5-[2-(4-chlorophenoxy)ethylthio]-1,2,4-triazole Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCOC2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCCOC2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O3S2/c1-2-12-24-19(15-29(25,26)18-6-4-3-5-7-18)22-23-20(24)28-14-13-27-17-10-8-16(21)9-11-17/h2-11H,1,12-15H2