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

Systemtic Name: ethyl 1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S/c1-3-26-18(25)15-9-11-23(12-10-15)17(24)13(2)27-19-20-16(21-22-19)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,20,21,22)