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

Systemtic Name: ethyl 1-[[4-methyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-benzyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[[4-methyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-benzyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-benzyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]isonipecotic acid ethyl ester Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H26N4O2S/c1-3-25-18(24)16-9-11-22(12-10-16)14-23-19(26)21(2)17(20-23)13-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3