4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-chromeno[4,3-d]pyrimidin-5-one

Systemtic Name: 4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-chromeno[4,3-d]pyrimidin-5-one Openeye Name: 4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-chromeno[4,3-d]pyrimidin-5-one CAS Name: 4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-[1]benzopyrano[4,3-d]pyrimidin-5-one IUPAC Name: 4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-chromeno[4,3-d]pyrimidin-5-one Traditional Name: 4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-chromeno[4,3-d]pyrimidin-5-one Formula: C17H11N3O4S MolecularWeight: 353.35194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C(NC(=S)N3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C(NC(=S)N3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C17H11N3O4S/c21-16-13-14(9-4-3-5-10(8-9)20(22)23)18-17(25)19-15(13)11-6-1-2-7-12(11)24-16/h1-8,14H,(H2,18,19,25)