5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-4H-pyrazol-3-one CAS Name: 5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-2-pyrazolin-3-one Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1SC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1SC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O3S/c1-11-15(23-14-10-6-5-9-13(14)19(21)22)16(20)18(17-11)12-7-3-2-4-8-12/h2-10,15H,1H3