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

Systemtic Name: N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]propanamide Openeye Name: N-[[4-isobutyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]propanamide CAS Name: N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]propanamide IUPAC Name: N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]propanamide Traditional Name: N-[[4-isobutyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]propionamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1=NN=C(N1CC(C)C)SCC2=CC=NC=C2

Isomeric SMILES

CCC(=O)NCC1=NN=C(N1CC(C)C)SCC2=CC=NC=C2

InChI

InChI=1S/C16H23N5OS/c1-4-15(22)18-9-14-19-20-16(21(14)10-12(2)3)23-11-13-5-7-17-8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,18,22)