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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NNC1=S)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N6O2S/c1-4-20-15(17-18-16(20)25)13-7-5-12(6-8-13)9-21-11(3)14(22(23)24)10(2)19-21/h5-8H,4,9H2,1-3H3,(H,18,25)