1-(1,2,4-triazol-4-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]urea

Systemtic Name: 1-(1,2,4-triazol-4-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]urea Openeye Name: 1-(1,2,4-triazol-4-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]urea CAS Name: 1-(1,2,4-triazol-4-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]urea IUPAC Name: 1-(1,2,4-triazol-4-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]urea Traditional Name: 1-(1,2,4-triazol-4-yl)-3-(4-triflylphenyl)urea Formula: C10H8F3N5O3S MolecularWeight: 335.26243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NN2C=NN=C2)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NN2C=NN=C2)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C10H8F3N5O3S/c11-10(12,13)22(20,21)8-3-1-7(2-4-8)16-9(19)17-18-5-14-15-6-18/h1-6H,(H2,16,17,19)