4-[2-(8-nitro-4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-[2-(8-nitro-4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide Openeye Name: 4-[2-(8-nitro-4-oxo-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide CAS Name: 4-[2-(8-nitro-4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide IUPAC Name: 4-[2-(8-nitro-4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide Traditional Name: 4-[2-(4-keto-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)ethyl]benzenesulfonamide Formula: C18H14N4O5S3 MolecularWeight: 462.52256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S)S(=O)(=O)N

InChI

InChI=1S/C18H14N4O5S3/c19-30(26,27)12-4-1-10(2-5-12)7-8-21-17(23)16-15(20-18(21)28)13-9-11(22(24)25)3-6-14(13)29-16/h1-6,9H,7-8H2,(H,20,28)(H2,19,26,27)