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

Systemtic Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]propanamide Openeye Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]propanamide CAS Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]propanamide IUPAC Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]propanamide Traditional Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1=NN=C(N1C2=CC(=CC=C2)OC)SCCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NCC1=NN=C(N1C2=CC(=CC=C2)OC)SCCC3=CC=CC=C3

InChI

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