2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]ethanamine

Systemtic Name: 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]ethanamine Openeye Name: 2-[[3-(p-tolyl)isoxazol-5-yl]methylsulfanyl]ethanamine CAS Name: 2-[[3-(4-methylphenyl)-5-isoxazolyl]methylthio]ethanamine IUPAC Name: 2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]ethanamine Traditional Name: 2-[[3-(p-tolyl)isoxazol-5-yl]methylthio]ethylamine Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)CSCCN

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)CSCCN

InChI

InChI=1S/C13H16N2OS/c1-10-2-4-11(5-3-10)13-8-12(16-15-13)9-17-7-6-14/h2-5,8H,6-7,9,14H2,1H3