3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[3-(3,5-dimethylphenoxy)propylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[3-(3,5-dimethylphenoxy)propylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSC2=NNC(=N2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSC2=NNC(=N2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H23N3O2S/c1-14-11-15(2)13-18(12-14)25-9-4-10-26-20-21-19(22-23-20)16-5-7-17(24-3)8-6-16/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,22,23)