1,5-dimethyl-4-[(4-methylsulfanylphenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(4-methylsulfanylphenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-2-phenyl-pyrazol-3-one Openeye Name: 4-[(2-hydroxy-4-oxo-chromen-3-yl)-(4-methylsulfanylphenyl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-[4-(methylthio)phenyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(2-hydroxy-4-oxochromen-3-yl)-(4-methylsulfanylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(2-hydroxy-4-keto-chromen-3-yl)-[4-(methylthio)phenyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C28H24N2O4S MolecularWeight: 484.56616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)SC)C4=C(OC5=CC=CC=C5C4=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)SC)C4=C(OC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C28H24N2O4S/c1-17-23(27(32)30(29(17)2)19-9-5-4-6-10-19)24(18-13-15-20(35-3)16-14-18)25-26(31)21-11-7-8-12-22(21)34-28(25)33/h4-16,24,33H,1-3H3