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

Systemtic Name: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea Openeye Name: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea CAS Name: 1-[2-(cyanomethylthio)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea IUPAC Name: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea Traditional Name: 1-[2-(cyanomethylthio)phenyl]sulfonyl-3-(4,6-dimethoxy-s-triazin-2-yl)urea Formula: C14H14N6O5S2 MolecularWeight: 410.42816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2SCC#N)OC

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2SCC#N)OC

InChI

InChI=1S/C14H14N6O5S2/c1-24-13-17-11(18-14(19-13)25-2)16-12(21)20-27(22,23)10-6-4-3-5-9(10)26-8-7-15/h3-6H,8H2,1-2H3,(H2,16,17,18,19,20,21)