1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chloranyl-4-ethylsulfanyl-phenyl)urea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chloranyl-4-ethylsulfanyl-phenyl)urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chloro-4-ethylsulfanyl-phenyl)urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-chloro-4-(ethylthio)phenyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chloro-4-ethylsulfanylphenyl)urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-chloro-4-(ethylthio)phenyl]urea Formula: C17H13ClF6N2OS MolecularWeight: 442.806339

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl

Isomeric SMILES

CCSC1=C(C=C(C=C1)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl

InChI

InChI=1S/C17H13ClF6N2OS/c1-2-28-14-4-3-11(8-13(14)18)25-15(27)26-12-6-9(16(19,20)21)5-10(7-12)17(22,23)24/h3-8H,2H2,1H3,(H2,25,26,27)