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

Systemtic Name: ethyl 1-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C20H25N5O3S/c1-2-28-19(27)14-7-10-24(11-8-14)17(26)13-29-20-23-22-18(25(20)16-5-6-16)15-4-3-9-21-12-15/h3-4,9,12,14,16H,2,5-8,10-11,13H2,1H3