S-(4-methylphenyl) 1,5-dimethyl-4-nitro-pyrazole-3-carbothioate

Systemtic Name: S-(4-methylphenyl) 1,5-dimethyl-4-nitro-pyrazole-3-carbothioate Openeye Name: S-(p-tolyl) 1,5-dimethyl-4-nitro-pyrazole-3-carbothioate CAS Name: 1,5-dimethyl-4-nitro-3-pyrazolecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 1,5-dimethyl-4-nitropyrazole-3-carbothioate Traditional Name: 1,5-dimethyl-4-nitro-pyrazole-3-carbothioic acid S-(p-tolyl) ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=NN(C(=C2[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=NN(C(=C2[N+](=O)[O-])C)C

InChI

InChI=1S/C13H13N3O3S/c1-8-4-6-10(7-5-8)20-13(17)11-12(16(18)19)9(2)15(3)14-11/h4-7H,1-3H3