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

Systemtic Name: methyl 6-[2-(2-methylprop-2-enylcarbamothioyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(2-methylallylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[(2-methylprop-2-enylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(2-methylprop-2-enylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(2-methylallylthiocarbamoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S/c1-11(2)9-18-16(24)20-8-4-7-19(20)14(21)13-6-5-12(10-17-13)15(22)23-3/h5-6,10H,1,4,7-9H2,2-3H3,(H,18,24)