5-[(3,4-dimethoxyphenyl)methylsulfanylmethyl]-1,2-oxazol-3-amine

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methylsulfanylmethyl]-1,2-oxazol-3-amine Openeye Name: 5-[(3,4-dimethoxyphenyl)methylsulfanylmethyl]isoxazol-3-amine CAS Name: 5-[[(3,4-dimethoxyphenyl)methylthio]methyl]-3-isoxazolamine IUPAC Name: 5-[(3,4-dimethoxyphenyl)methylsulfanylmethyl]-1,2-oxazol-3-amine Traditional Name: [5-[(veratrylthio)methyl]isoxazol-3-yl]amine Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC2=CC(=NO2)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC2=CC(=NO2)N)OC

InChI

InChI=1S/C13H16N2O3S/c1-16-11-4-3-9(5-12(11)17-2)7-19-8-10-6-13(14)15-18-10/h3-6H,7-8H2,1-2H3,(H2,14,15)