3-[3-(4-ethylphenoxy)propylsulfanyl]-4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazole

Systemtic Name: 3-[3-(4-ethylphenoxy)propylsulfanyl]-4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-5-[3-(4-ethylphenoxy)propylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[3-(4-ethylphenoxy)propylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[3-(4-ethylphenoxy)propylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(besylmethyl)-5-[3-(4-ethylphenoxy)propylthio]-4-methyl-1,2,4-triazole Formula: C21H25N3O3S2 MolecularWeight: 431.5715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCSC2=NN=C(N2C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCSC2=NN=C(N2C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S2/c1-3-17-10-12-18(13-11-17)27-14-7-15-28-21-23-22-20(24(21)2)16-29(25,26)19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-16H2,1-2H3