1-[4-(1-adamantyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]-3-(2-chlorophenyl)sulfonyl-urea

Systemtic Name: 1-[4-(1-adamantyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]-3-(2-chlorophenyl)sulfonyl-urea Openeye Name: 1-[4-(1-adamantyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]-3-(2-chlorophenyl)sulfonyl-urea CAS Name: 1-[4-(1-adamantyl)-6-(methylthio)-1,3,5-triazin-2-yl]-3-(2-chlorophenyl)sulfonylurea IUPAC Name: 1-[4-(1-adamantyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]-3-(2-chlorophenyl)sulfonylurea Traditional Name: 1-[4-(1-adamantyl)-6-(methylthio)-s-triazin-2-yl]-3-(2-chlorophenyl)sulfonyl-urea Formula: C21H24ClN5O3S2 MolecularWeight: 494.02996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24ClN5O3S2/c1-31-20-24-17(21-9-12-6-13(10-21)8-14(7-12)11-21)23-18(26-20)25-19(28)27-32(29,30)16-5-3-2-4-15(16)22/h2-5,12-14H,6-11H2,1H3,(H2,23,24,25,26,27,28)