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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC2=NNC(=S)N2CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC2=NNC(=S)N2CC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O2S/c1-11-15(22(23)24)12(2)21(19-11)9-8-14-17-18-16(25)20(14)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,25)