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

Systemtic Name: N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pent-4-enamide Openeye Name: N-[[4-isobutyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pent-4-enamide CAS Name: N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]-4-pentenamide IUPAC Name: N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pent-4-enamide Traditional Name: N-[[4-isobutyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]pent-4-enamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=NC=C2)CNC(=O)CCC=C

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=NC=C2)CNC(=O)CCC=C

InChI

InChI=1S/C18H25N5OS/c1-4-5-6-17(24)20-11-16-21-22-18(23(16)12-14(2)3)25-13-15-7-9-19-10-8-15/h4,7-10,14H,1,5-6,11-13H2,2-3H3,(H,20,24)