1-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(4-pyridin-4-ylsulfanylphenyl)urea

Systemtic Name: 1-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(4-pyridin-4-ylsulfanylphenyl)urea Openeye Name: 1-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[4-(4-pyridylsulfanyl)phenyl]urea CAS Name: 1-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylthio)phenyl]urea IUPAC Name: 1-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(4-pyridin-4-ylsulfanylphenyl)urea Traditional Name: 1-[2-methoxy-5-(trifluoromethyl)phenyl]-1-[4-(4-pyridylthio)phenyl]urea Formula: C20H16F3N3O2S MolecularWeight: 419.42015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(F)(F)F)N(C2=CC=C(C=C2)SC3=CC=NC=C3)C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(F)(F)F)N(C2=CC=C(C=C2)SC3=CC=NC=C3)C(=O)N

InChI

InChI=1S/C20H16F3N3O2S/c1-28-18-7-2-13(20(21,22)23)12-17(18)26(19(24)27)14-3-5-15(6-4-14)29-16-8-10-25-11-9-16/h2-12H,1H3,(H2,24,27)