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

Systemtic Name: 2-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]ethanamine Openeye Name: 2-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]ethanamine CAS Name: 2-[4-[2-(1H-1,2,4-triazol-5-ylthio)ethoxy]phenyl]ethanamine IUPAC Name: 2-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]ethanamine Traditional Name: 2-[4-[2-(1H-1,2,4-triazol-5-ylthio)ethoxy]phenyl]ethylamine Formula: C12H16N4OS MolecularWeight: 264.34664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN)OCCSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1CCN)OCCSC2=NC=NN2

InChI

InChI=1S/C12H16N4OS/c13-6-5-10-1-3-11(4-2-10)17-7-8-18-12-14-9-15-16-12/h1-4,9H,5-8,13H2,(H,14,15,16)