2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone IUPAC Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCCC1=NC(=NN1)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

C=CCCCCCCCCC1=NC(=NN1)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H27N3OS/c1-2-3-4-5-6-7-8-12-15-19-21-20(23-22-19)25-16-18(24)17-13-10-9-11-14-17/h2,9-11,13-14H,1,3-8,12,15-16H2,(H,21,22,23)