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

Systemtic Name: (E)-1-(2,5-dimethylthiophen-3-yl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(2,5-dimethyl-3-thienyl)-3-[3-methyl-1-phenyl-5-(8-quinolylsulfanyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(2,5-dimethyl-3-thiophenyl)-3-[3-methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(2,5-dimethylthiophen-3-yl)-3-(3-methyl-1-phenyl-5-quinolin-8-ylsulfanylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(2,5-dimethyl-3-thienyl)-3-[3-methyl-1-phenyl-5-(8-quinolylthio)pyrazol-4-yl]prop-2-en-1-one Formula: C28H23N3OS2 MolecularWeight: 481.63172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)SC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)SC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H23N3OS2/c1-18-17-24(20(3)33-18)25(32)15-14-23-19(2)30-31(22-11-5-4-6-12-22)28(23)34-26-13-7-9-21-10-8-16-29-27(21)26/h4-17H,1-3H3/b15-14+