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

Systemtic Name: 3-[1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[1-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[1-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)C(C)N3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)C(C)N3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N6O2S/c1-9-5-7-13(8-6-9)20-15(17-18-16(20)25)12(4)21-11(3)14(22(23)24)10(2)19-21/h5-8,12H,1-4H3,(H,18,25)