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

Systemtic Name: ethyl (3S)-1-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]nipecotic acid ethyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=S)N(C(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)N(C(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O2S/c1-3-24-17(23)15-8-7-11-20(12-15)13-21-18(25)22(14(2)19-21)16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-13H2,1-2H3/t15-/m0/s1