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

Systemtic Name: 3-[[(2-chlorophenyl)amino]methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chloroanilino)methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chloroanilino)methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chloroanilino)methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2-chloroanilino)methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H15ClN4OS MolecularWeight: 346.8345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)CNC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)CNC3=CC=CC=C3Cl

InChI

InChI=1S/C16H15ClN4OS/c1-22-12-8-6-11(7-9-12)21-15(19-20-16(21)23)10-18-14-5-3-2-4-13(14)17/h2-9,18H,10H2,1H3,(H,20,23)