N-[3,4-bis(fluoranyl)phenyl]-4-(4-bromanyl-3-nitro-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-4-(4-bromanyl-3-nitro-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-bromo-3-nitro-phenyl)-N-(3,4-difluorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-bromo-3-nitrophenyl)-N-(3,4-difluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-bromo-3-nitrophenyl)-N-(3,4-difluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-bromo-3-nitro-phenyl)-N-(3,4-difluorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C18H13BrF2N4O3S MolecularWeight: 483.286626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H13BrF2N4O3S/c1-8-15(17(26)23-10-3-5-12(20)13(21)7-10)16(24-18(29)22-8)9-2-4-11(19)14(6-9)25(27)28/h2-7,16H,1H3,(H,23,26)(H2,22,24,29)