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

Systemtic Name: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethyl-1,3,5-triazin-2-yl)urea Openeye Name: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethyl-1,3,5-triazin-2-yl)urea CAS Name: 1-[2-(cyanomethylthio)phenyl]sulfonyl-3-(4,6-dimethyl-1,3,5-triazin-2-yl)urea IUPAC Name: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethyl-1,3,5-triazin-2-yl)urea Traditional Name: 1-[2-(cyanomethylthio)phenyl]sulfonyl-3-(4,6-dimethyl-s-triazin-2-yl)urea Formula: C14H14N6O3S2 MolecularWeight: 378.42936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6O3S2/c1-9-16-10(2)18-13(17-9)19-14(21)20-25(22,23)12-6-4-3-5-11(12)24-8-7-15/h3-6H,8H2,1-2H3,(H2,16,17,18,19,20,21)