methyl 6-[2-(propylcarbamothioyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(propylcarbamothioyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(propylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[2-[propylamino(sulfanylidene)methyl]-1-pyrazolidinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(propylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(propylthiocarbamoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCCN1C(=O)C2=NC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCNC(=S)N1CCCN1C(=O)C2=NC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H20N4O3S/c1-3-7-16-15(23)19-9-4-8-18(19)13(20)12-6-5-11(10-17-12)14(21)22-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,23)