ethyl 1-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]isonipecotic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H26N4O3S/c1-3-27-19(26)15-7-10-23(11-8-15)17(25)9-12-24-18(21-22-20(24)28)16-6-4-5-14(2)13-16/h4-6,13,15H,3,7-12H2,1-2H3,(H,22,28)