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

Systemtic Name: (E)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanyl-pyrazol-4-yl)-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-methyl-1-phenyl-5-(8-quinolylsulfanyl)pyrazol-4-yl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolyl]-1-[4-(1-pyrrolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanylpyrazol-4-yl)-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-methyl-1-phenyl-5-(8-quinolylthio)pyrazol-4-yl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one Formula: C32H24N4OS MolecularWeight: 512.62416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC=C(C=C2)N3C=CC=C3)SC4=CC=CC5=C4N=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC=C(C=C2)N3C=CC=C3)SC4=CC=CC5=C4N=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H24N4OS/c1-23-28(18-19-29(37)24-14-16-26(17-15-24)35-21-5-6-22-35)32(36(34-23)27-11-3-2-4-12-27)38-30-13-7-9-25-10-8-20-33-31(25)30/h2-22H,1H3/b19-18+