1-[2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]ethanone

Systemtic Name: 1-[2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]ethanone Openeye Name: 1-[2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]ethanone CAS Name: 1-[2-[2-(1H-1,2,4-triazol-5-ylthio)ethoxy]phenyl]ethanone IUPAC Name: 1-[2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]ethanone Traditional Name: 1-[2-[2-(1H-1,2,4-triazol-5-ylthio)ethoxy]phenyl]ethanone Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCSC2=NC=NN2

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCSC2=NC=NN2

InChI

InChI=1S/C12H13N3O2S/c1-9(16)10-4-2-3-5-11(10)17-6-7-18-12-13-8-14-15-12/h2-5,8H,6-7H2,1H3,(H,13,14,15)