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

Systemtic Name: (E)-1-(3-hydroxyphenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(3-hydroxyphenyl)-3-[3-methyl-1-phenyl-5-(8-quinolylsulfanyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(3-hydroxyphenyl)-3-[3-methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(3-hydroxyphenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(3-hydroxyphenyl)-3-[3-methyl-1-phenyl-5-(8-quinolylthio)pyrazol-4-yl]prop-2-en-1-one Formula: C28H21N3O2S MolecularWeight: 463.55024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21N3O2S/c1-19-24(15-16-25(33)21-9-5-13-23(32)18-21)28(31(30-19)22-11-3-2-4-12-22)34-26-14-6-8-20-10-7-17-29-27(20)26/h2-18,32H,1H3/b16-15+