3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[2-(4-ethoxyphenoxy)ethylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[2-(4-ethoxyphenoxy)ethylthio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C19H21N3O2S MolecularWeight: 355.45394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NNC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NNC(=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H21N3O2S/c1-3-23-16-8-10-17(11-9-16)24-12-13-25-19-20-18(21-22-19)15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,20,21,22)