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

Systemtic Name: (E)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanyl-pyrazol-4-yl)-1-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-methyl-1-phenyl-5-(8-quinolylsulfanyl)pyrazol-4-yl]-1-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-[3-methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolyl]-1-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanylpyrazol-4-yl)-1-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-methyl-1-phenyl-5-(8-quinolylthio)pyrazol-4-yl]-1-(2-nitrophenyl)prop-2-en-1-one Formula: C28H20N4O3S MolecularWeight: 492.5484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC=CC=C2[N+](=O)[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[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H20N4O3S/c1-19-22(16-17-25(33)23-13-5-6-14-24(23)32(34)35)28(31(30-19)21-11-3-2-4-12-21)36-26-15-7-9-20-10-8-18-29-27(20)26/h2-18H,1H3/b17-16+