1-[2-(2-bromanylethynyl)phenyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-sulfamoyl-urea

Systemtic Name: 1-[2-(2-bromanylethynyl)phenyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-sulfamoyl-urea Openeye Name: 1-[2-(2-bromoethynyl)phenyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-sulfamoyl-urea CAS Name: 1-[2-(2-bromoethynyl)phenyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-sulfamoylurea IUPAC Name: 1-[2-(2-bromoethynyl)phenyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-sulfamoylurea Traditional Name: 1-[2-(2-bromoethynyl)phenyl]-3-(4-methoxy-6-methyl-s-triazin-2-yl)-1-sulfamoyl-urea Formula: C14H13BrN6O4S MolecularWeight: 441.25982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)OC)NC(=O)N(C2=CC=CC=C2C#CBr)S(=O)(=O)N

Isomeric SMILES

CC1=NC(=NC(=N1)OC)NC(=O)N(C2=CC=CC=C2C#CBr)S(=O)(=O)N

InChI

InChI=1S/C14H13BrN6O4S/c1-9-17-12(19-13(18-9)25-2)20-14(22)21(26(16,23)24)11-6-4-3-5-10(11)7-8-15/h3-6H,1-2H3,(H2,16,23,24)(H,17,18,19,20,22)