2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C21H19N7O3S2 MolecularWeight: 481.55066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H19N7O3S2/c1-15(32-21-26-24-14-28(21)17-6-3-2-4-7-17)19(29)25-16-8-10-18(11-9-16)33(30,31)27-20-22-12-5-13-23-20/h2-15H,1H3,(H,25,29)(H,22,23,27)