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

Systemtic Name: N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]pent-4-enamide Openeye Name: N-[(4-isobutyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)methyl]pent-4-enamide CAS Name: N-[[4-(2-methylpropyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-4-pentenamide IUPAC Name: N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]pent-4-enamide Traditional Name: N-[[4-isobutyl-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]pent-4-enamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCCC2=CC=CC=C2)CNC(=O)CCC=C

Isomeric SMILES

CC(C)CN1C(=NN=C1SCCC2=CC=CC=C2)CNC(=O)CCC=C

InChI

InChI=1S/C20H28N4OS/c1-4-5-11-19(25)21-14-18-22-23-20(24(18)15-16(2)3)26-13-12-17-9-7-6-8-10-17/h4,6-10,16H,1,5,11-15H2,2-3H3,(H,21,25)