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

Systemtic Name: 2-[2-bromanyl-5-methylsulfanyl-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methyl-guanidine hydrochloride Openeye Name: 2-[2-bromo-5-methylsulfanyl-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methyl-guanidine hydrochloride CAS Name: 2-[2-bromo-5-(methylthio)-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine hydrochloride IUPAC Name: 2-[2-bromo-5-methylsulfanyl-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine hydrochloride Traditional Name: 2-[2-bromo-5-(methylthio)-3-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methyl-guanidine hydrochloride Formula: C18H20BrClF3N3S MolecularWeight: 482.78871

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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