1,3-bis(ethylsulfanyl)-5-[(4-nitrophenyl)-phenyl-methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-bis(ethylsulfanyl)-5-[(4-nitrophenyl)-phenyl-methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-bis(ethylsulfanyl)-5-[(4-nitrophenyl)-phenyl-methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-bis(ethylthio)-5-[(4-nitrophenyl)-phenylmethylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-bis(ethylsulfanyl)-5-[(4-nitrophenyl)-phenylmethylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-bis(ethylthio)-5-[(4-nitrophenyl)-phenyl-methylene]barbituric acid Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CCSN1C(=O)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C1=O)SCC

Isomeric SMILES

CCSN1C(=O)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C1=O)SCC

InChI

InChI=1S/C21H19N3O5S2/c1-3-30-22-19(25)18(20(26)23(21(22)27)31-4-2)17(14-8-6-5-7-9-14)15-10-12-16(13-11-15)24(28)29/h5-13H,3-4H2,1-2H3