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

Systemtic Name: [4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone Openeye Name: [4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone CAS Name: [4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone IUPAC Name: [4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone Traditional Name: [4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone Formula: C24H19BrN2O3S MolecularWeight: 495.38826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)Br)O

InChI

InChI=1S/C24H19BrN2O3S/c1-30-18-13-16(12-17(25)23(18)29)21-19(22(28)15-10-6-3-7-11-15)20(26-24(31)27-21)14-8-4-2-5-9-14/h2-13,21,29H,1H3,(H2,26,27,31)