N-[(2-ethoxypyridin-3-yl)methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-[(2-ethoxypyridin-3-yl)methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-[(2-ethoxy-3-pyridyl)methyl]-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(2-ethoxy-3-pyridinyl)methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-[(2-ethoxypyridin-3-yl)methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-[(2-ethoxy-3-pyridyl)methyl]-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H23N5O2S/c1-3-27-19-16(8-5-10-21-19)13-22-17(26)9-11-25-18(23-24-20(25)28)15-7-4-6-14(2)12-15/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,22,26)(H,24,28)