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

Systemtic Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzenesulfonylmethyl)-5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[2-(3,5-dimethylphenoxy)ethylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(besylmethyl)-5-[2-(3,5-dimethylphenoxy)ethylthio]-1,2,4-triazole Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O3S2/c1-4-10-25-21(16-30(26,27)20-8-6-5-7-9-20)23-24-22(25)29-12-11-28-19-14-17(2)13-18(3)15-19/h4-9,13-15H,1,10-12,16H2,2-3H3