3-[2-[bis(fluoranyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-(3-nitrophenyl)propanamide

Systemtic Name: 3-[2-[bis(fluoranyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-(3-nitrophenyl)propanamide Openeye Name: 3-[2-(difluoromethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(3-nitrophenyl)propanamide CAS Name: 3-[2-(difluoromethylthio)-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(3-nitrophenyl)propanamide IUPAC Name: 3-[2-(difluoromethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(3-nitrophenyl)propanamide Traditional Name: 3-[2-(difluoromethylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(3-nitrophenyl)propionamide Formula: C15H14F2N4O4S MolecularWeight: 384.357866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(F)F)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(F)F)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H14F2N4O4S/c1-8-11(13(23)20-15(18-8)26-14(16)17)5-6-12(22)19-9-3-2-4-10(7-9)21(24)25/h2-4,7,14H,5-6H2,1H3,(H,19,22)(H,18,20,23)