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

Systemtic Name: methyl 6-[2-(prop-2-enylcarbamothioyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(allylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[2-[(prop-2-enylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(prop-2-enylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(allylthiocarbamoyl)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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3S/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/h3,5-6,10H,1,4,7-9H2,2H3,(H,16,23)