5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4S/c17-11-10(12(18)15-13(21)14-11)3-1-2-8-4-6-9(7-5-8)16(19)20/h1-7H,(H2,14,15,17,18,21)/b2-1+