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

Systemtic Name: ethyl 1-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C13H21N5O3S MolecularWeight: 327.40254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NNC(=N2)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NNC(=N2)N

InChI

InChI=1S/C13H21N5O3S/c1-3-21-11(20)9-4-6-18(7-5-9)10(19)8(2)22-13-15-12(14)16-17-13/h8-9H,3-7H2,1-2H3,(H3,14,15,16,17)