1-phenyl-2-[4-phenyl-6-(phenylcarbonyl)-5-pyrrol-1-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-phenyl-2-[4-phenyl-6-(phenylcarbonyl)-5-pyrrol-1-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 2-(6-benzoyl-4-phenyl-5-pyrrol-1-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[[6-benzoyl-4-phenyl-5-(1-pyrrolyl)-2-thieno[2,3-d]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-(6-benzoyl-4-phenyl-5-pyrrol-1-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(6-benzoyl-4-phenyl-5-pyrrol-1-yl-thieno[2,3-d]pyrimidin-2-yl)thio]-1-phenyl-ethanone Formula: C31H21N3O2S2 MolecularWeight: 531.64734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=C(SC3=NC(=N2)SCC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)N6C=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=C(SC3=NC(=N2)SCC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)N6C=CC=C6

InChI

InChI=1S/C31H21N3O2S2/c35-24(21-12-4-1-5-13-21)20-37-31-32-26(22-14-6-2-7-15-22)25-27(34-18-10-11-19-34)29(38-30(25)33-31)28(36)23-16-8-3-9-17-23/h1-19H,20H2