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

Systemtic Name: 4-(3-chlorophenyl)-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-chlorophenyl)-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chlorophenyl)-3-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-chlorophenyl)-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-chlorophenyl)-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Formula: C15H15ClN6O2S MolecularWeight: 378.8366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN6O2S/c1-9-14(22(23)24)10(2)20(19-9)7-6-13-17-18-15(25)21(13)12-5-3-4-11(16)8-12/h3-5,8H,6-7H2,1-2H3,(H,18,25)