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

Systemtic Name: 4-(4-chlorophenyl)-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-chlorophenyl)-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-chlorophenyl)-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-chlorophenyl)-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chlorophenyl)-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C16H14ClN3OS MolecularWeight: 331.81986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3OS/c1-11-2-8-14(9-3-11)21-10-15-18-19-16(22)20(15)13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H,19,22)