3-methylsulfanyl-9-nitro-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-4-ium

Systemtic Name: 3-methylsulfanyl-9-nitro-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-4-ium Openeye Name: 3-methylsulfanyl-9-nitro-1,5,10,10a-tetrahydrothiazolo[3,4-b]isoquinolin-4-ium CAS Name: 3-(methylthio)-9-nitro-1,5,10,10a-tetrahydrothiazolo[3,4-b]isoquinolin-4-ium IUPAC Name: 3-methylsulfanyl-9-nitro-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-4-ium Traditional Name: 3-(methylthio)-9-nitro-1,5,10,10a-tetrahydrothiazol[3,4-b]isoquinolin-4-ium Formula: C12H13N2O2S2+ MolecularWeight: 281.37382

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+]2CC3=C(CC2CS1)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=[N+]2CC3=C(CC2CS1)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H13N2O2S2/c1-17-12-13-6-8-3-2-4-11(14(15)16)10(8)5-9(13)7-18-12/h2-4,9H,5-7H2,1H3/q+1