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

Systemtic Name: ethyl 1-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C12H19N5O3S MolecularWeight: 313.37596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H19N5O3S/c1-2-20-10(19)8-3-5-17(6-4-8)9(18)7-21-12-14-11(13)15-16-12/h8H,2-7H2,1H3,(H3,13,14,15,16)