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

Systemtic Name: ethyl 1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-4-27-19(26)16-10-12-24(13-11-16)18(25)14(2)28-20-22-21-17(23(20)3)15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3