4-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C17H16ClN3O2S MolecularWeight: 361.84584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O2S/c1-2-22-14-7-9-15(10-8-14)23-11-16-19-20-17(24)21(16)13-5-3-12(18)4-6-13/h3-10H,2,11H2,1H3,(H,20,24)