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

Systemtic Name: methyl 6-[2-(cyclopropylcarbamothioyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(cyclopropylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[(cyclopropylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(cyclopropylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(cyclopropylthiocarbamoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=S)NC3CC3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=S)NC3CC3

InChI

InChI=1S/C15H18N4O3S/c1-22-14(21)10-3-6-12(16-9-10)13(20)18-7-2-8-19(18)15(23)17-11-4-5-11/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,17,23)