ethyl 1-[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C)C3=CN=CC=C3

InChI

InChI=1S/C19H25N5O3S/c1-4-27-18(26)14-7-10-24(11-8-14)17(25)13(2)28-19-22-21-16(23(19)3)15-6-5-9-20-12-15/h5-6,9,12-14H,4,7-8,10-11H2,1-3H3