2-[[5-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[5-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[5-[(E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetate IUPAC Name: 2-[[5-[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acryloyl]-2-methoxy-benzyl]thio]acetate Formula: C23H20ClN2O4S- MolecularWeight: 455.9339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H21ClN2O4S/c1-15-19(23(24)26(25-15)18-6-4-3-5-7-18)9-10-20(27)16-8-11-21(30-2)17(12-16)13-31-14-22(28)29/h3-12H,13-14H2,1-2H3,(H,28,29)/p-1/b10-9+