methyl 6-[2-[2-(3-cyanopropylsulfanyl)pyridin-3-yl]carbonylpyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[2-(3-cyanopropylsulfanyl)pyridin-3-yl]carbonylpyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-(3-cyanopropylsulfanyl)pyridine-3-carbonyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[[2-(3-cyanopropylthio)-3-pyridinyl]-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-(3-cyanopropylsulfanyl)pyridine-3-carbonyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-(3-cyanopropylthio)nicotinoyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N

InChI

InChI=1S/C21H21N5O4S/c1-30-21(29)15-7-8-17(24-14-15)20(28)26-12-5-11-25(26)19(27)16-6-4-10-23-18(16)31-13-3-2-9-22/h4,6-8,10,14H,2-3,5,11-13H2,1H3