2-[[5-[(4-butoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[(4-butoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4-butoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-butoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(4-butoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(4-butoxybenzyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C21H24N4O2S/c1-2-3-13-27-18-11-9-16(10-12-18)14-20-23-24-21(28-15-19(22)26)25(20)17-7-5-4-6-8-17/h4-12H,2-3,13-15H2,1H3,(H2,22,26)