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

Systemtic Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-pyridin-3-ylcarbonyl-pyrazol-3-one Openeye Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-(pyridine-3-carbonyl)pyrazol-3-one CAS Name: 5-methyl-4-[(2-nitrophenyl)thio]-1-[oxo(3-pyridinyl)methyl]-2-phenyl-3-pyrazolone IUPAC Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-(pyridine-3-carbonyl)pyrazol-3-one Traditional Name: 5-methyl-1-nicotinoyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolin-3-one Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C(=O)C2=CN=CC=C2)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C(=O)C2=CN=CC=C2)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4S/c1-15-20(31-19-12-6-5-11-18(19)26(29)30)22(28)25(17-9-3-2-4-10-17)24(15)21(27)16-8-7-13-23-14-16/h2-14H,1H3