(4Z)-4-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylene]-2-phenyl-5-(p-tolylsulfanylmethyl)pyrazol-3-one CAS Name: (4Z)-4-[(8-methoxy-2-methyl-2H-1-benzopyran-3-yl)methylidene]-5-[[(4-methylphenyl)thio]methyl]-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-5-[(4-methylphenyl)sulfanylmethyl]-2-phenylpyrazol-3-one Traditional Name: (4Z)-4-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylene]-2-phenyl-5-[(p-tolylthio)methyl]-2-pyrazolin-3-one Formula: C29H26N2O3S MolecularWeight: 482.59334

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=C(O1)C(=CC=C2)OC)C=C3C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)C

Isomeric SMILES

CC1C(=CC2=C(O1)C(=CC=C2)OC)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)C

InChI

InChI=1S/C29H26N2O3S/c1-19-12-14-24(15-13-19)35-18-26-25(29(32)31(30-26)23-9-5-4-6-10-23)17-22-16-21-8-7-11-27(33-3)28(21)34-20(22)2/h4-17,20H,18H2,1-3H3/b25-17-