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

Systemtic Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone Openeye Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylsulfanyl)ethanone CAS Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylthio)ethanone IUPAC Name: 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone Traditional Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C25H25N3O2S2 MolecularWeight: 463.6149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NC=NC4=C3C5=C(S4)CCCC5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NC=NC4=C3C5=C(S4)CCCC5

InChI

InChI=1S/C25H25N3O2S2/c1-15-12-20(16(2)28(15)17-8-10-18(30-3)11-9-17)21(29)13-31-24-23-19-6-4-5-7-22(19)32-25(23)27-14-26-24/h8-12,14H,4-7,13H2,1-3H3