tert-butyl 4-(4-bromanyl-3-nitro-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 4-(4-bromanyl-3-nitro-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl 4-(4-bromo-3-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-bromo-3-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-bromo-3-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-bromo-3-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C16H18BrN3O4S MolecularWeight: 428.30082

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O4S/c1-8-12(14(21)24-16(2,3)4)13(19-15(25)18-8)9-5-6-10(17)11(7-9)20(22)23/h5-7,13H,1-4H3,(H2,18,19,25)