1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C20H17N3OS2 MolecularWeight: 379.49848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H17N3OS2/c1-13-10-17(14(2)23(13)15-6-4-3-5-7-15)18(24)11-26-20-16-8-9-25-19(16)21-12-22-20/h3-10,12H,11H2,1-2H3