2-(4-bromophenyl)carbonyl-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(4-bromophenyl)carbonyl-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(4-bromobenzoyl)-N-(2-furylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(4-bromophenyl)-oxomethyl]-N-(2-furanylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(4-bromobenzoyl)-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(4-bromobenzoyl)-N-(2-furfuryl)pyrazolidine-1-carbothioamide Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCC2=CC=CO2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(N(C1)C(=S)NCC2=CC=CO2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H16BrN3O2S/c17-13-6-4-12(5-7-13)15(21)19-8-2-9-20(19)16(23)18-11-14-3-1-10-22-14/h1,3-7,10H,2,8-9,11H2,(H,18,23)