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

Systemtic Name: methyl 6-[2-(propan-2-ylcarbamothioyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(isopropylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[2-[(propan-2-ylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(propan-2-ylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(isopropylthiocarbamoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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