(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-pyrimidin-2-ylsulfanyl-propan-1-one

Systemtic Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-pyrimidin-2-ylsulfanyl-propan-1-one Openeye Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-pyrimidin-2-ylsulfanyl-propan-1-one CAS Name: (2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-(2-pyrimidinylthio)-1-propanone IUPAC Name: (2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one Traditional Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(2-pyrimidylthio)propan-1-one Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)SC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)SC3=NC=CC=N3

InChI

InChI=1S/C19H19N3OS/c1-13-12-17(14(2)22(13)16-8-5-4-6-9-16)18(23)15(3)24-19-20-10-7-11-21-19/h4-12,15H,1-3H3/t15-/m0/s1