2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[2-(methylthio)phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-(2-methylsulfanylphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[2-(methylthio)phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC)C

InChI

InChI=1S/C13H14N4O3S/c1-8-11(17(19)20)12(16(2)15-8)13(18)14-9-6-4-5-7-10(9)21-3/h4-7H,1-3H3,(H,14,18)