[4-(3-bromanyl-5-chloranyl-4-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone

Systemtic Name: [4-(3-bromanyl-5-chloranyl-4-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone Openeye Name: [4-(3-bromo-5-chloro-4-hydroxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone CAS Name: [4-(3-bromo-5-chloro-4-hydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone IUPAC Name: [4-(3-bromo-5-chloro-4-hydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone Traditional Name: [4-(3-bromo-5-chloro-4-hydroxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone Formula: C23H16BrClN2O2S MolecularWeight: 499.80734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC(=C(C(=C3)Br)O)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC(=C(C(=C3)Br)O)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H16BrClN2O2S/c24-16-11-15(12-17(25)22(16)29)20-18(21(28)14-9-5-2-6-10-14)19(26-23(30)27-20)13-7-3-1-4-8-13/h1-12,20,29H,(H2,26,27,30)