3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(m-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(m-tolyl)-1H-1,2,4-triazole-5-thione Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NNC2=S)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H16N6O2S/c1-9-5-4-6-12(7-9)20-13(16-17-15(20)24)8-19-11(3)14(21(22)23)10(2)18-19/h4-7H,8H2,1-3H3,(H,17,24)