1-(3-nitrophenyl)-3-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-nitrophenyl)-3-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-nitrophenyl)-3-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-nitrophenyl)-3-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-nitrophenyl)-3-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-nitrophenyl)-3-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H10N4O6S MolecularWeight: 386.3388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=S)N(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)N(C(=S)N(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O6S/c21-14-9-15(22)18(12-2-1-3-13(8-12)20(25)26)16(27)17(14)10-4-6-11(7-5-10)19(23)24/h1-8H,9H2