2-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[7-(3-chlorophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]-1-phenyl-ethanone Formula: C26H18ClN3OS MolecularWeight: 455.95862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)SCC(=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)SCC(=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H18ClN3OS/c27-20-12-7-13-21(14-20)30-15-22(18-8-3-1-4-9-18)24-25(30)28-17-29-26(24)32-16-23(31)19-10-5-2-6-11-19/h1-15,17H,16H2