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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(phenylthio)phenyl]acetamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-13-19(23(25)26)14(2)22(21-13)12-18(24)20-16-10-6-7-11-17(16)27-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,20,24)