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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-ethylphenyl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-ethylphenyl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-ethylphenyl)propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-ethylphenyl)propanamide Traditional Name: N-(3-ethylphenyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H24N4O2S/c1-3-15-6-5-7-17(14-15)22-19(26)12-13-25-20(23-24-21(25)28)16-8-10-18(11-9-16)27-4-2/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,26)(H,24,28)