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

Systemtic Name: 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC(=CC=C3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC(=CC=C3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O3S/c1-10-15(22(23)24)11(2)20(19-10)8-7-14-17-18-16(26)21(14)12-5-4-6-13(9-12)25-3/h4-6,9H,7-8H2,1-3H3,(H,18,26)