2-(2,6-dimethoxypyridin-3-yl)carbonyl-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(2,6-dimethoxypyridin-3-yl)carbonyl-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(2,6-dimethoxypyridine-3-carbonyl)-N-(2-furylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-N-(2-furanylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(2,6-dimethoxypyridine-3-carbonyl)-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2,6-dimethoxynicotinoyl)-N-(2-furfuryl)pyrazolidine-1-carbothioamide Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=S)NCC3=CC=CO3)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=S)NCC3=CC=CO3)OC

InChI

InChI=1S/C17H20N4O4S/c1-23-14-7-6-13(15(19-14)24-2)16(22)20-8-4-9-21(20)17(26)18-11-12-5-3-10-25-12/h3,5-7,10H,4,8-9,11H2,1-2H3,(H,18,26)