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

Systemtic Name: (E)-1-(2,4-dichlorophenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(2,4-dichlorophenyl)-3-[3-methyl-1-phenyl-5-(8-quinolylsulfanyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(2,4-dichlorophenyl)-3-[3-methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(2,4-dichlorophenyl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(2,4-dichlorophenyl)-3-[3-methyl-1-phenyl-5-(8-quinolylthio)pyrazol-4-yl]prop-2-en-1-one Formula: C28H19Cl2N3OS MolecularWeight: 516.44096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H19Cl2N3OS/c1-18-22(14-15-25(34)23-13-12-20(29)17-24(23)30)28(33(32-18)21-9-3-2-4-10-21)35-26-11-5-7-19-8-6-16-31-27(19)26/h2-17H,1H3/b15-14+