2-[azanyl-(5-chloranylisoquinolin-8-yl)-oxidanyl-oxidanylidene-$l^{6}-sulfanyl]ethanamine

Systemtic Name: 2-[azanyl-(5-chloranylisoquinolin-8-yl)-oxidanyl-oxidanylidene-$l^{6}-sulfanyl]ethanamine Openeye Name: 2-[amino-(5-chloro-8-isoquinolyl)-hydroxy-oxo-$l^{6}-sulfanyl]ethanamine CAS Name: 2-[amino-(5-chloro-8-isoquinolinyl)-hydroxy-oxo-$l^{6}-sulfanyl]ethanamine IUPAC Name: 2-[amino-(5-chloroisoquinolin-8-yl)-hydroxy-oxo-$l^{6}-sulfanyl]ethanamine Traditional Name: 2-[amino-(5-chloro-8-isoquinolyl)-hydroxy-keto-persulfuranyl]ethylamine Formula: C11H14ClN3O2S MolecularWeight: 287.76576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CN=CC2=C1S(=O)(CCN)(N)O)Cl

Isomeric SMILES

C1=CC(=C2C=CN=CC2=C1S(=O)(CCN)(N)O)Cl

InChI

InChI=1S/C11H14ClN3O2S/c12-10-1-2-11(18(14,16,17)6-4-13)9-7-15-5-3-8(9)10/h1-3,5,7H,4,6,13H2,(H3,14,16,17)