2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-(methylsulfonylamino)phenyl]methyl]ethanamide

Systemtic Name: 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-(methylsulfonylamino)phenyl]methyl]ethanamide Openeye Name: 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]acetamide CAS Name: 2-[5,7-dimethyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[3-(methanesulfonamido)phenyl]methyl]acetamide IUPAC Name: 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]acetamide Traditional Name: 2-[5,7-dimethyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(methanesulfonamido)benzyl]acetamide Formula: C18H22N6O3S2 MolecularWeight: 434.53568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=NC(=NN12)SC)C)CC(=O)NCC3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NC2=NC(=NN12)SC)C)CC(=O)NCC3=CC(=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C18H22N6O3S2/c1-11-15(12(2)24-17(20-11)21-18(22-24)28-3)9-16(25)19-10-13-6-5-7-14(8-13)23-29(4,26)27/h5-8,23H,9-10H2,1-4H3,(H,19,25)