ethyl 4-(3-bromophenyl)-6-(furan-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-bromophenyl)-6-(furan-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-bromophenyl)-6-(3-furyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromophenyl)-6-(3-furanyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromophenyl)-6-(furan-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromophenyl)-6-(3-furyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)Br)C3=COC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)Br)C3=COC=C3

InChI

InChI=1S/C17H15BrN2O3S/c1-2-23-16(21)13-14(10-4-3-5-12(18)8-10)19-17(24)20-15(13)11-6-7-22-9-11/h3-9,14H,2H2,1H3,(H2,19,20,24)