1,5-dimethyl-4-[(E)-3-oxidanylidene-3-(4-phenylsulfanylphenyl)prop-1-enyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(E)-3-oxidanylidene-3-(4-phenylsulfanylphenyl)prop-1-enyl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[(E)-3-oxo-3-(4-phenylsulfanylphenyl)prop-1-enyl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[(E)-3-oxo-3-[4-(phenylthio)phenyl]prop-1-enyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(E)-3-oxo-3-(4-phenylsulfanylphenyl)prop-1-enyl]-2-phenylpyrazol-3-one Traditional Name: 4-[(E)-3-keto-3-[4-(phenylthio)phenyl]prop-1-enyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=CC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=C/C(=O)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2S/c1-19-24(26(30)28(27(19)2)21-9-5-3-6-10-21)17-18-25(29)20-13-15-23(16-14-20)31-22-11-7-4-8-12-22/h3-18H,1-2H3/b18-17+