3,5-dinitro-N-pyrrolidin-1-ylcarbothioyl-benzamide

Systemtic Name: 3,5-dinitro-N-pyrrolidin-1-ylcarbothioyl-benzamide Openeye Name: 3,5-dinitro-N-(pyrrolidine-1-carbothioyl)benzamide CAS Name: 3,5-dinitro-N-[1-pyrrolidinyl(sulfanylidene)methyl]benzamide IUPAC Name: 3,5-dinitro-N-(pyrrolidine-1-carbothioyl)benzamide Traditional Name: 3,5-dinitro-N-(pyrrolidine-1-carbothioyl)benzamide Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O5S/c17-11(13-12(22)14-3-1-2-4-14)8-5-9(15(18)19)7-10(6-8)16(20)21/h5-7H,1-4H2,(H,13,17,22)