5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-[(4-nitrophenyl)thio]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-4-[(4-nitrophenyl)thio]-2-phenyl-3-pyrazolin-3-one Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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