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

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-(3,4-difluorophenyl)-3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-(3,4-difluorophenyl)-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-(3,4-difluorophenyl)-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(3,4-difluorophenyl)-3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propionamide Formula: C14H13F2N3O2S MolecularWeight: 325.333726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCC(=O)NC2=CC(=C(C=C2)F)F

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)NC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C14H13F2N3O2S/c1-7-9(13(21)19-14(22)17-7)3-5-12(20)18-8-2-4-10(15)11(16)6-8/h2,4,6H,3,5H2,1H3,(H,18,20)(H2,17,19,21,22)