3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-piperidin-1-ylpyridin-3-yl)propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-piperidin-1-ylpyridin-3-yl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[6-(1-piperidyl)-3-pyridyl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[6-(1-piperidinyl)-3-pyridinyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-piperidin-1-ylpyridin-3-yl)propanamide Traditional Name: N-(6-piperidino-3-pyridyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CN=C(C=C3)N4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CN=C(C=C3)N4CCCCC4

InChI

InChI=1S/C23H28N6O2S/c1-2-31-19-9-6-17(7-10-19)22-26-27-23(32)29(22)15-12-21(30)25-18-8-11-20(24-16-18)28-13-4-3-5-14-28/h6-11,16H,2-5,12-15H2,1H3,(H,25,30)(H,27,32)