4-(1-methylpyrrol-2-yl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one

Systemtic Name: 4-(1-methylpyrrol-2-yl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one Openeye Name: 4-(1-methylpyrrol-2-yl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one CAS Name: 4-[(1-methyl-2-pyrrolyl)thio]-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one IUPAC Name: 4-(1-methylpyrrol-2-yl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one Traditional Name: 4-[(1-methylpyrrol-2-yl)thio]-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one Formula: C16H12F3N3OS MolecularWeight: 351.34619

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1SC2=C(C(=O)NC(=N2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C=CC=C1SC2=C(C(=O)NC(=N2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N3OS/c1-22-9-5-8-11(22)24-15-12(16(17,18)19)14(23)20-13(21-15)10-6-3-2-4-7-10/h2-9H,1H3,(H,20,21,23)