1-[1-[2-(4-fluorophenyl)ethyl]-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-(4-fluorophenyl)ethyl]-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-(4-fluorophenyl)ethyl]-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-(4-fluorophenyl)ethyl]-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-(4-fluorophenyl)ethyl]-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-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C27H28FN3OS2 MolecularWeight: 493.659123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)CSC3=NC(=NC4=C3C5=C(S4)CCCC5)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)CSC3=NC(=NC4=C3C5=C(S4)CCCC5)C

InChI

InChI=1S/C27H28FN3OS2/c1-16-14-22(17(2)31(16)13-12-19-8-10-20(28)11-9-19)23(32)15-33-26-25-21-6-4-5-7-24(21)34-27(25)30-18(3)29-26/h8-11,14H,4-7,12-13,15H2,1-3H3