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

Systemtic Name: 5-[(3-nitro-4-phenylsulfanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-nitro-4-phenylsulfanyl-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-nitro-4-(phenylthio)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-nitro-4-phenylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-nitro-4-(phenylthio)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H11N3O4S2 MolecularWeight: 385.41694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O4S2/c21-15-12(16(22)19-17(25)18-15)8-10-6-7-14(13(9-10)20(23)24)26-11-4-2-1-3-5-11/h1-9H,(H2,18,19,21,22,25)