N-(3-nitrophenyl)pyrrolidine-1-carbothioamide

Systemtic Name: N-(3-nitrophenyl)pyrrolidine-1-carbothioamide Openeye Name: N-(3-nitrophenyl)pyrrolidine-1-carbothioamide CAS Name: N-(3-nitrophenyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(3-nitrophenyl)pyrrolidine-1-carbothioamide Traditional Name: N-(3-nitrophenyl)pyrrolidine-1-carbothioamide Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O2S/c15-14(16)10-5-3-4-9(8-10)12-11(17)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2,(H,12,17)