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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC1=NN=C(N1C2=CC=C(C=C2)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NCC1=NN=C(N1C2=CC=C(C=C2)OC)SCC3=CC=CC=C3

InChI

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