N-[(2,3-dimethoxyphenyl)methyl]-2-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]pyrazolidine-1-carbothioamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methylthiadiazole-5-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(4-methyl-5-thiadiazolyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methylthiadiazole-5-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(4-methylthiadiazole-5-carbonyl)-N-o-veratryl-pyrazolidine-1-carbothioamide Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC1=C(SN=N1)C(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C17H21N5O3S2/c1-11-15(27-20-19-11)16(23)21-8-5-9-22(21)17(26)18-10-12-6-4-7-13(24-2)14(12)25-3/h4,6-7H,5,8-10H2,1-3H3,(H,18,26)