3-[6-(3-bromophenyl)-5-sulfanylidene-1H-imidazo[1,2-a]pyrimidin-2-yl]-6-nitro-chromen-2-one

Systemtic Name: 3-[6-(3-bromophenyl)-5-sulfanylidene-1H-imidazo[1,2-a]pyrimidin-2-yl]-6-nitro-chromen-2-one Openeye Name: 3-[6-(3-bromophenyl)-5-thioxo-1H-imidazo[1,2-a]pyrimidin-2-yl]-6-nitro-chromen-2-one CAS Name: 3-[6-(3-bromophenyl)-5-sulfanylidene-1H-imidazo[1,2-a]pyrimidin-2-yl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[6-(3-bromophenyl)-5-sulfanylidene-1H-imidazo[1,2-a]pyrimidin-2-yl]-6-nitrochromen-2-one Traditional Name: 3-[6-(3-bromophenyl)-5-thioxo-1H-imidazo[1,2-a]pyrimidin-2-yl]-6-nitro-coumarin Formula: C21H11BrN4O4S MolecularWeight: 495.30544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=CN=C3NC(=CN3C2=S)C4=CC5=C(C=CC(=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=CN=C3NC(=CN3C2=S)C4=CC5=C(C=CC(=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C21H11BrN4O4S/c22-13-3-1-2-11(6-13)16-9-23-21-24-17(10-25(21)19(16)31)15-8-12-7-14(26(28)29)4-5-18(12)30-20(15)27/h1-10H,(H,23,24)