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

Systemtic Name: (E)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanyl-pyrazol-4-yl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-methyl-1-phenyl-5-(8-quinolylsulfanyl)pyrazol-4-yl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-[3-methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolyl]-1-(1-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanylpyrazol-4-yl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-methyl-1-phenyl-5-(8-quinolylthio)pyrazol-4-yl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Formula: C26H21N5OS MolecularWeight: 451.54284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N5OS/c1-18-21(13-14-23(32)22-15-17-30(2)29-22)26(31(28-18)20-10-4-3-5-11-20)33-24-12-6-8-19-9-7-16-27-25(19)24/h3-17H,1-2H3/b14-13+