4-nitro-N-pyrrolidin-1-ylcarbothioyl-benzamide

Systemtic Name: 4-nitro-N-pyrrolidin-1-ylcarbothioyl-benzamide Openeye Name: 4-nitro-N-(pyrrolidine-1-carbothioyl)benzamide CAS Name: 4-nitro-N-[1-pyrrolidinyl(sulfanylidene)methyl]benzamide IUPAC Name: 4-nitro-N-(pyrrolidine-1-carbothioyl)benzamide Traditional Name: 4-nitro-N-(pyrrolidine-1-carbothioyl)benzamide Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c16-11(13-12(19)14-7-1-2-8-14)9-3-5-10(6-4-9)15(17)18/h3-6H,1-2,7-8H2,(H,13,16,19)