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

Systemtic Name: ethyl (3S)-1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S/c1-3-26-18(25)15-10-7-11-23(12-15)16(24)13-27-19-21-20-17(22(19)2)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13H2,1-2H3/t15-/m0/s1