1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-pyrimidylthio)ethanone Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C18H16BrN3OS/c1-12-9-16(17(23)11-24-18-20-7-4-8-21-18)13(2)22(12)15-6-3-5-14(19)10-15/h3-10H,11H2,1-2H3