1,5-dimethyl-4-[(4-nitrophenyl)sulfanylamino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(4-nitrophenyl)sulfanylamino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[(4-nitrophenyl)sulfanylamino]-2-phenyl-pyrazol-3-one CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-nitrobenzenesulfenamide IUPAC Name: 1,5-dimethyl-4-[(4-nitrophenyl)sulfanylamino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[(4-nitrophenyl)thio]amino]-2-phenyl-3-pyrazolin-3-one Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-12-16(18-25-15-10-8-14(9-11-15)21(23)24)17(22)20(19(12)2)13-6-4-3-5-7-13/h3-11,18H,1-2H3