(E)-1-(4-fluorophenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanyl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-fluorophenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-fluorophenyl)-3-[3-methyl-1-phenyl-5-(8-quinolylsulfanyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(4-fluorophenyl)-3-[3-methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(4-fluorophenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-fluorophenyl)-3-[3-methyl-1-phenyl-5-(8-quinolylthio)pyrazol-4-yl]prop-2-en-1-one Formula: C28H20FN3OS MolecularWeight: 465.541303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC=C(C=C2)F)SC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC=C(C=C2)F)SC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H20FN3OS/c1-19-24(16-17-25(33)20-12-14-22(29)15-13-20)28(32(31-19)23-9-3-2-4-10-23)34-26-11-5-7-21-8-6-18-30-27(21)26/h2-18H,1H3/b17-16+