2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-sulfanylphenyl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-sulfanylphenyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-sulfanylphenyl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(4-mercaptophenyl)acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-sulfanylphenyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-mercaptophenyl)acetamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)S)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)S)C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-8-13(17(19)20)9(2)16(15-8)7-12(18)14-10-3-5-11(21)6-4-10/h3-6,21H,7H2,1-2H3,(H,14,18)