4-[3-[(1-oxidanylidenephthalazin-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide

Systemtic Name: 4-[3-[(1-oxidanylidenephthalazin-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Openeye Name: 4-[3-[(1-oxophthalazin-2-yl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide CAS Name: 4-[3-[(1-oxo-2-phthalazinyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide IUPAC Name: 4-[3-[(1-oxophthalazin-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Traditional Name: 4-[3-[(1-ketophthalazin-2-yl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide Formula: C17H14N6O3S2 MolecularWeight: 414.46146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C17H14N6O3S2/c18-28(25,26)13-7-5-12(6-8-13)23-15(20-21-17(23)27)10-22-16(24)14-4-2-1-3-11(14)9-19-22/h1-9H,10H2,(H,21,27)(H2,18,25,26)