5-[1-(3-nitrophenyl)-3-oxidanylidene-3-thiophen-2-yl-propyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[1-(3-nitrophenyl)-3-oxidanylidene-3-thiophen-2-yl-propyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[1-(3-nitrophenyl)-3-oxo-3-(2-thienyl)propyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[1-(3-nitrophenyl)-3-oxo-3-thiophen-2-ylpropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[1-(3-nitrophenyl)-3-oxo-3-thiophen-2-ylpropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-keto-1-(3-nitrophenyl)-3-(2-thienyl)propyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(CC(=O)C2=CC=CS2)C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(CC(=O)C2=CC=CS2)C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C17H13N3O5S2/c21-12(13-5-2-6-27-13)8-11(9-3-1-4-10(7-9)20(24)25)14-15(22)18-17(26)19-16(14)23/h1-7,11,14H,8H2,(H2,18,19,22,23,26)