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

Systemtic Name: N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pent-4-enamide Openeye Name: N-[2-[4-methyl-5-(2-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pent-4-enamide CAS Name: N-[2-[4-methyl-5-(2-pyridinylmethylthio)-1,2,4-triazol-3-yl]ethyl]-4-pentenamide IUPAC Name: N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pent-4-enamide Traditional Name: N-[2-[4-methyl-5-(2-pyridylmethylthio)-1,2,4-triazol-3-yl]ethyl]pent-4-enamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=N2)CCNC(=O)CCC=C

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=N2)CCNC(=O)CCC=C

InChI

InChI=1S/C16H21N5OS/c1-3-4-8-15(22)18-11-9-14-19-20-16(21(14)2)23-12-13-7-5-6-10-17-13/h3,5-7,10H,1,4,8-9,11-12H2,2H3,(H,18,22)