5-chloranyl-3-methyl-2-methylsulfanyl-1,3-benzoxazol-3-ium

Systemtic Name: 5-chloranyl-3-methyl-2-methylsulfanyl-1,3-benzoxazol-3-ium Openeye Name: 5-chloro-3-methyl-2-methylsulfanyl-1,3-benzoxazol-3-ium CAS Name: 5-chloro-3-methyl-2-(methylthio)-1,3-benzoxazol-3-ium IUPAC Name: 5-chloro-3-methyl-2-methylsulfanyl-1,3-benzoxazol-3-ium Traditional Name: 5-chloro-3-methyl-2-(methylthio)-1,3-benzoxazol-3-ium Formula: C9H9ClNOS+ MolecularWeight: 214.69186

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OC2=C1C=C(C=C2)Cl)SC

Isomeric SMILES

C[N+]1=C(OC2=C1C=C(C=C2)Cl)SC

InChI

InChI=1S/C9H9ClNOS/c1-11-7-5-6(10)3-4-8(7)12-9(11)13-2/h3-5H,1-2H3/q+1