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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-phenylbutyl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-phenylbutyl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-phenylbutyl)propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-phenylbutyl)propanamide Traditional Name: N-(1-phenylbutyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-3-8-20(17-9-6-5-7-10-17)24-21(28)15-16-27-22(25-26-23(27)30)18-11-13-19(14-12-18)29-4-2/h5-7,9-14,20H,3-4,8,15-16H2,1-2H3,(H,24,28)(H,26,30)