N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[5,7-dimethyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide Traditional Name: 2-[5,7-dimethyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]acetamide Formula: C20H23N7O3S2 MolecularWeight: 473.57172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=NC(=NN12)SC)C)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

Isomeric SMILES

CC1=C(C(=NC2=NC(=NN12)SC)C)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

InChI

InChI=1S/C20H23N7O3S2/c1-12-16(13(2)27-19(22-12)24-20(25-27)31-3)11-18(28)23-14-6-4-7-15(10-14)32(29,30)26-17-8-5-9-21-17/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,21,26)(H,23,28)