N-[1,1-bis(oxidanylidene)thian-4-yl]-4-bromanyl-3-nitro-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thian-4-yl]-4-bromanyl-3-nitro-benzamide Openeye Name: 4-bromo-N-(1,1-dioxothian-4-yl)-3-nitro-benzamide CAS Name: 4-bromo-N-(1,1-dioxo-4-thianyl)-3-nitrobenzamide IUPAC Name: 4-bromo-N-(1,1-dioxothian-4-yl)-3-nitrobenzamide Traditional Name: 4-bromo-N-(1,1-diketothian-4-yl)-3-nitro-benzamide Formula: C12H13BrN2O5S MolecularWeight: 377.21102

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CCC1NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H13BrN2O5S/c13-10-2-1-8(7-11(10)15(17)18)12(16)14-9-3-5-21(19,20)6-4-9/h1-2,7,9H,3-6H2,(H,14,16)