5-(octylsulfanylmethyl)-1,2-oxazol-3-amine

Systemtic Name: 5-(octylsulfanylmethyl)-1,2-oxazol-3-amine Openeye Name: 5-(octylsulfanylmethyl)isoxazol-3-amine CAS Name: 5-[(octylthio)methyl]-3-isoxazolamine IUPAC Name: 5-(octylsulfanylmethyl)-1,2-oxazol-3-amine Traditional Name: [5-[(octylthio)methyl]isoxazol-3-yl]amine Formula: C12H22N2OS MolecularWeight: 242.38088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC1=CC(=NO1)N

Isomeric SMILES

CCCCCCCCSCC1=CC(=NO1)N

InChI

InChI=1S/C12H22N2OS/c1-2-3-4-5-6-7-8-16-10-11-9-12(13)14-15-11/h9H,2-8,10H2,1H3,(H2,13,14)