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

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-3-nitro-benzamide Openeye Name: 4-[(1,1-dioxothian-4-yl)amino]-3-nitro-benzamide CAS Name: 4-[(1,1-dioxo-4-thianyl)amino]-3-nitrobenzamide IUPAC Name: 4-[(1,1-dioxothian-4-yl)amino]-3-nitrobenzamide Traditional Name: 4-[(1,1-diketothian-4-yl)amino]-3-nitro-benzamide Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CCC1NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5S/c13-12(16)8-1-2-10(11(7-8)15(17)18)14-9-3-5-21(19,20)6-4-9/h1-2,7,9,14H,3-6H2,(H2,13,16)