N-(4-ethoxyphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-p-phenetyl-acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3

InChI

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