methyl 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: methyl 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]thio]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate Traditional Name: 2-[[4-(4-aminobenzyl)-5-butyl-1,2,4-triazol-3-yl]thio]-2-phenyl-acetic acid methyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SC(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H26N4O2S/c1-3-4-10-19-24-25-22(26(19)15-16-11-13-18(23)14-12-16)29-20(21(27)28-2)17-8-6-5-7-9-17/h5-9,11-14,20H,3-4,10,15,23H2,1-2H3