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

Systemtic Name: 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(m-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(m-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(=CC=C1)N2C(=NNC2=S)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N6O2S/c1-10-5-4-6-13(9-10)21-14(17-18-16(21)25)7-8-20-12(3)15(22(23)24)11(2)19-20/h4-6,9H,7-8H2,1-3H3,(H,18,25)