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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-ethoxypyridin-3-yl)methyl]propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(2-ethoxy-3-pyridyl)methyl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-ethoxypyridin-3-yl)methyl]propanamide Traditional Name: N-[(2-ethoxy-3-pyridyl)methyl]-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=C(N=CC=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=C(N=CC=C3)OCC

InChI

InChI=1S/C21H25N5O3S/c1-3-28-17-9-7-15(8-10-17)19-24-25-21(30)26(19)13-11-18(27)23-14-16-6-5-12-22-20(16)29-4-2/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,23,27)(H,25,30)