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

Systemtic Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pyridin-4-yl-ethanamide Openeye Name: 2-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-pyridyl)acetamide CAS Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pyridin-4-ylacetamide IUPAC Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pyridin-4-ylacetamide Traditional Name: 2-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-(4-pyridyl)acetamide Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC=NC=C3

InChI

InChI=1S/C17H17N5O2S/c1-2-24-14-5-3-12(4-6-14)16-20-21-17(25)22(16)11-15(23)19-13-7-9-18-10-8-13/h3-10H,2,11H2,1H3,(H,21,25)(H,18,19,23)