1-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-methoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-methoxyphenyl)-5-[(5-nitro-2-thiophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-methoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H11N3O5S2 MolecularWeight: 389.40564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)NC2=S

InChI

InChI=1S/C16H11N3O5S2/c1-24-10-4-2-9(3-5-10)18-15(21)12(14(20)17-16(18)25)8-11-6-7-13(26-11)19(22)23/h2-8H,1H3,(H,17,20,25)