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

Systemtic Name: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea Openeye Name: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea CAS Name: 1-[2-(cyanomethylthio)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea IUPAC Name: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea Traditional Name: 1-[2-(cyanomethylthio)phenyl]sulfonyl-3-(4-methoxy-6-methyl-s-triazin-2-yl)urea Formula: C14H14N6O4S2 MolecularWeight: 394.42876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2SCC#N

Isomeric SMILES

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2SCC#N

InChI

InChI=1S/C14H14N6O4S2/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,8H2,1-2H3,(H2,16,17,18,19,20,21)