2-azanyl-1-[3-(4-methylsulfanylphenyl)-1,2-oxazol-5-yl]ethanone hydrochloride

Systemtic Name: 2-azanyl-1-[3-(4-methylsulfanylphenyl)-1,2-oxazol-5-yl]ethanone hydrochloride Openeye Name: 2-amino-1-[3-(4-methylsulfanylphenyl)isoxazol-5-yl]ethanone hydrochloride CAS Name: 2-amino-1-[3-[4-(methylthio)phenyl]-5-isoxazolyl]ethanone hydrochloride IUPAC Name: 2-amino-1-[3-(4-methylsulfanylphenyl)-1,2-oxazol-5-yl]ethanone hydrochloride Traditional Name: 2-amino-1-[3-[4-(methylthio)phenyl]isoxazol-5-yl]ethanone hydrochloride Formula: C12H13ClN2O2S MolecularWeight: 284.76182

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NOC(=C2)C(=O)CN.Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NOC(=C2)C(=O)CN.Cl

InChI

InChI=1S/C12H12N2O2S.ClH/c1-17-9-4-2-8(3-5-9)10-6-12(16-14-10)11(15)7-13;/h2-6H,7,13H2,1H3;1H