3-(2-methoxyphenyl)-N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]propanamide

Systemtic Name: 3-(2-methoxyphenyl)-N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]propanamide Openeye Name: N-[(4-isobutyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide CAS Name: 3-(2-methoxyphenyl)-N-[[4-(2-methylpropyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]propanamide IUPAC Name: 3-(2-methoxyphenyl)-N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]propanamide Traditional Name: N-[[4-isobutyl-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-3-(2-methoxyphenyl)propionamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCCC2=CC=CC=C2)CNC(=O)CCC3=CC=CC=C3OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SCCC2=CC=CC=C2)CNC(=O)CCC3=CC=CC=C3OC

InChI

InChI=1S/C25H32N4O2S/c1-19(2)18-29-23(27-28-25(29)32-16-15-20-9-5-4-6-10-20)17-26-24(30)14-13-21-11-7-8-12-22(21)31-3/h4-12,19H,13-18H2,1-3H3,(H,26,30)