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

Systemtic Name: (E)-1-(4-methylphenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-methyl-1-phenyl-5-(8-quinolylsulfanyl)pyrazol-4-yl]-1-(p-tolyl)prop-2-en-1-one CAS Name: (E)-1-(4-methylphenyl)-3-[3-methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(4-methylphenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-methyl-1-phenyl-5-(8-quinolylthio)pyrazol-4-yl]-1-(p-tolyl)prop-2-en-1-one Formula: C29H23N3OS MolecularWeight: 461.57742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)SC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)SC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H23N3OS/c1-20-13-15-22(16-14-20)26(33)18-17-25-21(2)31-32(24-10-4-3-5-11-24)29(25)34-27-12-6-8-23-9-7-19-30-28(23)27/h3-19H,1-2H3/b18-17+