3-methylsulfanyl-7-nitro-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-4-ium

Systemtic Name: 3-methylsulfanyl-7-nitro-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-4-ium Openeye Name: 3-methylsulfanyl-7-nitro-1,5,10,10a-tetrahydrothiazolo[3,4-b]isoquinolin-4-ium CAS Name: 3-(methylthio)-7-nitro-1,5,10,10a-tetrahydrothiazolo[3,4-b]isoquinolin-4-ium IUPAC Name: 3-methylsulfanyl-7-nitro-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-4-ium Traditional Name: 3-(methylthio)-7-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/c1-17-12-13-6-9-5-10(14(15)16)3-2-8(9)4-11(13)7-18-12/h2-3,5,11H,4,6-7H2,1H3/q+1