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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)N2C(=NNC2=S)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)N2C(=NNC2=S)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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