N-[1,1-bis(oxidanylidene)thian-4-yl]-5-chloranyl-2-nitro-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thian-4-yl]-5-chloranyl-2-nitro-benzamide Openeye Name: 5-chloro-N-(1,1-dioxothian-4-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-(1,1-dioxo-4-thianyl)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(1,1-dioxothian-4-yl)-2-nitrobenzamide Traditional Name: 5-chloro-N-(1,1-diketothian-4-yl)-2-nitro-benzamide Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O5S/c13-8-1-2-11(15(17)18)10(7-8)12(16)14-9-3-5-21(19,20)6-4-9/h1-2,7,9H,3-6H2,(H,14,16)