(5Z)-1-(3-methylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-1-(3-methylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(m-tolyl)-5-[(5-nitro-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(3-methylphenyl)-5-[(5-nitro-2-furanyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(3-methylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(m-tolyl)-5-[(5-nitro-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=O)NC2=S

InChI

InChI=1S/C16H11N3O5S/c1-9-3-2-4-10(7-9)18-15(21)12(14(20)17-16(18)25)8-11-5-6-13(24-11)19(22)23/h2-8H,1H3,(H,17,20,25)/b12-8-