6-[[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]sulfamoyl]-1,3-benzoxazol-2-olate

Systemtic Name: 6-[[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]sulfamoyl]-1,3-benzoxazol-2-olate Openeye Name: 6-[[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]sulfamoyl]-1,3-benzoxazol-2-olate CAS Name: 6-[[3-[3-(methylthio)-1,2,4-triazol-4-yl]phenyl]sulfamoyl]-1,3-benzoxazol-2-olate IUPAC Name: 6-[[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]sulfamoyl]-1,3-benzoxazol-2-olate Traditional Name: 6-[[3-[3-(methylthio)-1,2,4-triazol-4-yl]phenyl]sulfamoyl]-1,3-benzoxazol-2-olate Formula: C16H12N5O4S2- MolecularWeight: 402.42758

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=CN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(O4)[O-]

Isomeric SMILES

CSC1=NN=CN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(O4)[O-]

InChI

InChI=1S/C16H13N5O4S2/c1-26-15-19-17-9-21(15)11-4-2-3-10(7-11)20-27(23,24)12-5-6-13-14(8-12)25-16(22)18-13/h2-9,20H,1H3,(H,18,22)/p-1