1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-pyrimidylthio)ethanone Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C15H17N3OS/c1-4-8-18-11(2)9-13(12(18)3)14(19)10-20-15-16-6-5-7-17-15/h4-7,9H,1,8,10H2,2-3H3