2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]ethanamine

Systemtic Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]ethanamine Openeye Name: 2-[(5-phenylisoxazol-3-yl)methylsulfanyl]ethanamine CAS Name: 2-[(5-phenyl-3-isoxazolyl)methylthio]ethanamine IUPAC Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]ethanamine Traditional Name: 2-[(5-phenylisoxazol-3-yl)methylthio]ethylamine Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSCCN

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSCCN

InChI

InChI=1S/C12H14N2OS/c13-6-7-16-9-11-8-12(15-14-11)10-4-2-1-3-5-10/h1-5,8H,6-7,9,13H2