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

Systemtic Name: N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)isoquinoline-5-sulfonamide Openeye Name: N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)isoquinoline-5-sulfonamide CAS Name: N-[1-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-5-isoquinolinesulfonamide IUPAC Name: N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)isoquinoline-5-sulfonamide Traditional Name: N-[1-methyl-5-(methylthio)-1,2,4-triazol-3-yl]isoquinoline-5-sulfonamide Formula: C13H13N5O2S2 MolecularWeight: 335.40462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)SC

Isomeric SMILES

CN1C(=NC(=N1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)SC

InChI

InChI=1S/C13H13N5O2S2/c1-18-13(21-2)15-12(16-18)17-22(19,20)11-5-3-4-9-8-14-7-6-10(9)11/h3-8H,1-2H3,(H,16,17)