2-[2-bromanyl-5-methylsulfanyl-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methyl-guanidine chloride

Systemtic Name: 2-[2-bromanyl-5-methylsulfanyl-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methyl-guanidine chloride Openeye Name: 2-[2-bromo-5-methylsulfanyl-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methyl-guanidine chloride CAS Name: 2-[2-bromo-5-(methylthio)-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine chloride IUPAC Name: 2-[2-bromo-5-methylsulfanyl-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine chloride Traditional Name: 2-[2-bromo-5-(methylthio)-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methyl-guanidine chloride Formula: C18H19BrClF3N3S- MolecularWeight: 481.78077

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(C)C(=NC2=C(C(=CC(=C2)SC)C(F)(F)F)Br)N.[Cl-]

Isomeric SMILES

CCC1=CC(=CC=C1)N(C)C(=NC2=C(C(=CC(=C2)SC)C(F)(F)F)Br)N.[Cl-]

InChI

InChI=1S/C18H19BrF3N3S.ClH/c1-4-11-6-5-7-12(8-11)25(2)17(23)24-15-10-13(26-3)9-14(16(15)19)18(20,21)22;/h5-10H,4H2,1-3H3,(H2,23,24);1H/p-1