1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone

Systemtic Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone Openeye Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone CAS Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]ethanone IUPAC Name: 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone Traditional Name: 1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C25H24FN3OS2 MolecularWeight: 465.605963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=NC(=NC4=C3C5=C(S4)CCCC5)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=NC(=NC4=C3C5=C(S4)CCCC5)C

InChI

InChI=1S/C25H24FN3OS2/c1-14-12-18(15(2)29(14)20-10-6-5-9-19(20)26)21(30)13-31-24-23-17-8-4-7-11-22(17)32-25(23)28-16(3)27-24/h5-6,9-10,12H,4,7-8,11,13H2,1-3H3