[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H22N2O3S/c1-16-21(17(2)25(24-16)19-7-5-4-6-8-19)13-14-23(27)28-15-22(26)18-9-11-20(29-3)12-10-18/h4-14H,15H2,1-3H3/b14-13+