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

Systemtic Name: 1-(3-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(m-tolyl)-5-[(5-nitro-2-thienyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-methylphenyl)-5-[(5-nitro-2-thiophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(m-tolyl)-5-[(5-nitro-2-thienyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H11N3O4S2 MolecularWeight: 373.40624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)NC2=S

InChI

InChI=1S/C16H11N3O4S2/c1-9-3-2-4-10(7-9)18-15(21)12(14(20)17-16(18)24)8-11-5-6-13(25-11)19(22)23/h2-8H,1H3,(H,17,20,24)