4-(2,4-dimethylphenyl)-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,4-dimethylphenyl)-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,4-dimethylphenyl)-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,4-dimethylphenyl)-3-[2-(3-nitro-1-pyrazolyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,4-dimethylphenyl)-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,4-dimethylphenyl)-3-[2-(3-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6O2S/c1-10-3-4-12(11(2)9-10)20-13(16-17-15(20)24)5-7-19-8-6-14(18-19)21(22)23/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,24)