5-(3,6-dinitrofluoren-9-ylidene)-1,3-bis(ethylsulfanyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(3,6-dinitrofluoren-9-ylidene)-1,3-bis(ethylsulfanyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-(3,6-dinitrofluoren-9-ylidene)-1,3-bis(ethylsulfanyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(3,6-dinitro-9-fluorenylidene)-1,3-bis(ethylthio)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(3,6-dinitrofluoren-9-ylidene)-1,3-bis(ethylsulfanyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3,6-dinitrofluoren-9-ylidene)-1,3-bis(ethylthio)barbituric acid Formula: C21H16N4O7S2 MolecularWeight: 500.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSN1C(=O)C(=C2C3=C(C=C(C=C3)[N+](=O)[O-])C4=C2C=CC(=C4)[N+](=O)[O-])C(=O)N(C1=O)SCC

Isomeric SMILES

CCSN1C(=O)C(=C2C3=C(C=C(C=C3)[N+](=O)[O-])C4=C2C=CC(=C4)[N+](=O)[O-])C(=O)N(C1=O)SCC

InChI

InChI=1S/C21H16N4O7S2/c1-3-33-22-19(26)18(20(27)23(21(22)28)34-4-2)17-13-7-5-11(24(29)30)9-15(13)16-10-12(25(31)32)6-8-14(16)17/h5-10H,3-4H2,1-2H3