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

Systemtic Name: methyl 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H24N4O3S/c1-27-19(26)15-9-11-23(12-10-15)17(25)13-28-20-22-21-18(14-7-8-14)24(20)16-5-3-2-4-6-16/h2-6,14-15H,7-13H2,1H3