6-(2-aminophenyl)-3-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 6-(2-aminophenyl)-3-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2-aminophenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-aminophenyl)-3-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-(2-aminophenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-aminophenyl)-3-[[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]thio]-1,2,4-triazin-5-olate Formula: C21H21N6O4S2- MolecularWeight: 485.55924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4N)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4N)[O-]

InChI

InChI=1S/C21H22N6O4S2/c22-17-6-2-1-5-16(17)19-20(29)24-21(26-25-19)32-13-18(28)23-14-7-9-15(10-8-14)33(30,31)27-11-3-4-12-27/h1-2,5-10H,3-4,11-13,22H2,(H,23,28)(H,24,26,29)/p-1