2-[[6-(2-aminophenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[[6-(2-aminophenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[6-(2-aminophenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[6-(2-aminophenyl)-5-oxo-2H-1,2,4-triazin-3-yl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[6-(2-aminophenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[6-(2-aminophenyl)-5-keto-2H-1,2,4-triazin-3-yl]thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H22N6O4S2 MolecularWeight: 486.56718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C(=NN3)C4=CC=CC=C4N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C(=NN3)C4=CC=CC=C4N

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)