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

Systemtic Name: ethyl 1-[2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C15H25N5O3S MolecularWeight: 355.4557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2N)C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2N)C(C)C

InChI

InChI=1S/C15H25N5O3S/c1-4-23-14(22)11-5-7-19(8-6-11)12(21)9-24-15-18-17-13(10(2)3)20(15)16/h10-11H,4-9,16H2,1-3H3