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

Systemtic Name: (E)-1-(2-methoxyphenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(2-methoxyphenyl)-3-[3-methyl-1-phenyl-5-(8-quinolylsulfanyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(2-methoxyphenyl)-3-[3-methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(2-methoxyphenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(2-methoxyphenyl)-3-[3-methyl-1-phenyl-5-(8-quinolylthio)pyrazol-4-yl]prop-2-en-1-one Formula: C29H23N3O2S MolecularWeight: 477.57682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC=CC=C2OC)SC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC=CC=C2OC)SC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O2S/c1-20-23(17-18-25(33)24-14-6-7-15-26(24)34-2)29(32(31-20)22-12-4-3-5-13-22)35-27-16-8-10-21-11-9-19-30-28(21)27/h3-19H,1-2H3/b18-17+