3-(4-chlorophenyl)-4-(2-methoxy-5-methyl-phenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-chlorophenyl)-4-(2-methoxy-5-methyl-phenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-chlorophenyl)-4-(2-methoxy-5-methyl-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chlorophenyl)-4-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-chlorophenyl)-4-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chlorophenyl)-4-(2-methoxy-5-methyl-phenyl)-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)OC)N2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3OS/c1-10-3-8-14(21-2)13(9-10)20-15(18-19-16(20)22)11-4-6-12(17)7-5-11/h3-9H,1-2H3,(H,19,22)