2-(4-bromophenyl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(4-bromophenyl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(4-bromobenzoyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(4-bromophenyl)-oxomethyl]-N-(3-pyridinylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(4-bromobenzoyl)-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(4-bromobenzoyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide Formula: C17H17BrN4OS MolecularWeight: 405.31208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCC2=CN=CC=C2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(N(C1)C(=S)NCC2=CN=CC=C2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H17BrN4OS/c18-15-6-4-14(5-7-15)16(23)21-9-2-10-22(21)17(24)20-12-13-3-1-8-19-11-13/h1,3-8,11H,2,9-10,12H2,(H,20,24)