4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3,5-dimethyl-pyrazol-1-yl]benzoate

Systemtic Name: 4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3,5-dimethyl-pyrazol-1-yl]benzoate Openeye Name: 4-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-3,5-dimethyl-pyrazol-1-yl]benzoate CAS Name: 4-[4-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-3,5-dimethyl-1-pyrazolyl]benzoate IUPAC Name: 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-3,5-dimethylpyrazol-1-yl]benzoate Traditional Name: 4-[4-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-3,5-dimethyl-pyrazol-1-yl]benzoate Formula: C20H17FN3O3S- MolecularWeight: 398.430683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)[O-])C)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)[O-])C)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O3S/c1-12-19(28-11-18(25)22-16-7-5-15(21)6-8-16)13(2)24(23-12)17-9-3-14(4-10-17)20(26)27/h3-10H,11H2,1-2H3,(H,22,25)(H,26,27)/p-1