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

Systemtic Name: 2-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(4-amino-5-p-anisyl-1,2,4-triazol-3-yl)thio]-N-phenethyl-acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O2S/c1-27-17-9-7-16(8-10-17)13-18-23-24-20(25(18)21)28-14-19(26)22-12-11-15-5-3-2-4-6-15/h2-10H,11-14,21H2,1H3,(H,22,26)