3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-pyridin-2-ylethyl)propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-pyridin-2-ylethyl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(2-pyridyl)ethyl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(2-pyridinyl)ethyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-pyridin-2-ylethyl)propanamide Traditional Name: 3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-[2-(2-pyridyl)ethyl]propionamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCC3=CC=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCC3=CC=CC=N3

InChI

InChI=1S/C20H23N5O2S/c1-2-27-17-8-6-15(7-9-17)19-23-24-20(28)25(19)14-11-18(26)22-13-10-16-5-3-4-12-21-16/h3-9,12H,2,10-11,13-14H2,1H3,(H,22,26)(H,24,28)