5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(2-hydroxyethylthio)-3-nitrophenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H19N3O5S2 MolecularWeight: 505.56546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)SCCO)[N+](=O)[O-])C(=O)N(C2=S)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)SCCO)[N+](=O)[O-])C(=O)N(C2=S)C4=CC=CC=C4

InChI

InChI=1S/C25H19N3O5S2/c29-13-14-35-22-12-11-17(16-21(22)28(32)33)15-20-23(30)26(18-7-3-1-4-8-18)25(34)27(24(20)31)19-9-5-2-6-10-19/h1-12,15-16,29H,13-14H2