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

Systemtic Name: 4-(4-bromanyl-3-nitro-phenyl)-N-(2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-bromo-3-nitro-phenyl)-N-(2-fluorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-bromo-3-nitrophenyl)-N-(2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-bromo-3-nitrophenyl)-N-(2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-bromo-3-nitro-phenyl)-N-(2-fluorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C18H14BrFN4O3S MolecularWeight: 465.296163

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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=CC=C3F

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C18H14BrFN4O3S/c1-9-15(17(25)22-13-5-3-2-4-12(13)20)16(23-18(28)21-9)10-6-7-11(19)14(8-10)24(26)27/h2-8,16H,1H3,(H,22,25)(H2,21,23,28)