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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentan-3-yl-propanamide Openeye Name: N-(1-ethylpropyl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentan-3-ylpropanamide IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentan-3-ylpropanamide Traditional Name: N-(1-ethylpropyl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H24N4O2S MolecularWeight: 348.46306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(CC)NC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H24N4O2S/c1-4-13(5-2)18-15(22)10-11-21-16(19-20-17(21)24)12-6-8-14(23-3)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,22)(H,20,24)