5-[(4-nitrophenyl)methylidene]-1,3-dipropyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(4-nitrophenyl)methylidene]-1,3-dipropyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-nitrophenyl)methylene]-1,3-dipropyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-nitrophenyl)methylidene]-1,3-dipropyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-nitrophenyl)methylidene]-1,3-dipropyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-nitrobenzylidene)-1,3-dipropyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C1=S)CCC

Isomeric SMILES

CCCN1C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C1=S)CCC

InChI

InChI=1S/C17H19N3O4S/c1-3-9-18-15(21)14(16(22)19(10-4-2)17(18)25)11-12-5-7-13(8-6-12)20(23)24/h5-8,11H,3-4,9-10H2,1-2H3