N-[4-(4-nitrophenyl)sulfanyl-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]ethanamide

Systemtic Name: N-[4-(4-nitrophenyl)sulfanyl-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]ethanamide Openeye Name: N-[4-(4-nitrophenyl)sulfanyl-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide CAS Name: N-[4-[(4-nitrophenyl)thio]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide IUPAC Name: N-[4-(4-nitrophenyl)sulfanyl-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide Traditional Name: N-[5-keto-4-[(4-nitrophenyl)thio]-1-phenyl-2-pyrazolin-3-yl]acetamide Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=O)C1SC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NN(C(=O)C1SC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O4S/c1-11(22)18-16-15(26-14-9-7-13(8-10-14)21(24)25)17(23)20(19-16)12-5-3-2-4-6-12/h2-10,15H,1H3,(H,18,19,22)