4-(3-chloranyl-2-methyl-phenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-chloranyl-2-methyl-phenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-chloro-2-methyl-phenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-chloro-2-methyl-phenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione Formula: C15H11ClN4O2S MolecularWeight: 346.79144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NNC2=S)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NNC2=S)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClN4O2S/c1-9-12(16)6-3-7-13(9)19-14(17-18-15(19)23)10-4-2-5-11(8-10)20(21)22/h2-8H,1H3,(H,18,23)