N-(3-cyanophenyl)-2-(1-phenylcyclopropyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-2-(1-phenylcyclopropyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(3-cyanophenyl)-2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(3-cyanophenyl)-2-[oxo-(1-phenylcyclopropyl)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(3-cyanophenyl)-2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NC2=CC=CC(=C2)C#N)C(=O)C3(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CN(N(C1)C(=S)NC2=CC=CC(=C2)C#N)C(=O)C3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c22-15-16-6-4-9-18(14-16)23-20(27)25-13-5-12-24(25)19(26)21(10-11-21)17-7-2-1-3-8-17/h1-4,6-9,14H,5,10-13H2,(H,23,27)