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

Systemtic Name: ethyl 1-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3S/c1-3-29-21(28)17-11-13-25(14-12-17)20(27)15(2)30-22-23-19(16-9-10-16)26(24-22)18-7-5-4-6-8-18/h4-8,15-17H,3,9-14H2,1-2H3