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

Systemtic Name: N-[(4-butoxyphenyl)methyl]-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(4-butoxyphenyl)methyl]-2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(4-butoxyphenyl)methyl]-2-[[4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(4-butoxyphenyl)methyl]-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-butoxybenzyl)-2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=O)CSC2=NN=CN2C3=CC=CC=N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=O)CSC2=NN=CN2C3=CC=CC=N3

InChI

InChI=1S/C20H23N5O2S/c1-2-3-12-27-17-9-7-16(8-10-17)13-22-19(26)14-28-20-24-23-15-25(20)18-6-4-5-11-21-18/h4-11,15H,2-3,12-14H2,1H3,(H,22,26)