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

Systemtic Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone Openeye Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone Traditional Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC(=NC4=C3C5=C(S4)CCCC5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC(=NC4=C3C5=C(S4)CCCC5)C)C

InChI

InChI=1S/C26H27N3OS2/c1-15-9-11-19(12-10-15)29-16(2)13-21(17(29)3)22(30)14-31-25-24-20-7-5-6-8-23(20)32-26(24)28-18(4)27-25/h9-13H,5-8,14H2,1-4H3