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

Systemtic Name: methyl 6-[2-(pyridin-3-ylmethylcarbamothioyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(3-pyridylmethylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[2-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(pyridin-3-ylmethylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(3-pyridylmethylthiocarbamoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=S)NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C18H19N5O3S/c1-26-17(25)14-5-6-15(20-12-14)16(24)22-8-3-9-23(22)18(27)21-11-13-4-2-7-19-10-13/h2,4-7,10,12H,3,8-9,11H2,1H3,(H,21,27)