N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinoline-5-sulfonamide

Systemtic Name: N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinoline-5-sulfonamide Openeye Name: N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinoline-5-sulfonamide CAS Name: N-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-5-isoquinolinesulfonamide IUPAC Name: N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinoline-5-sulfonamide Traditional Name: N-[3-(methylthio)-1H-1,2,4-triazol-5-yl]isoquinoline-5-sulfonamide Formula: C12H11N5O2S2 MolecularWeight: 321.37804

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CSC1=NNC(=N1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C12H11N5O2S2/c1-20-12-14-11(15-16-12)17-21(18,19)10-4-2-3-8-7-13-6-5-9(8)10/h2-7H,1H3,(H2,14,15,16,17)