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

Systemtic Name: 2-(2-bromanyl-5-methylsulfanyl-phenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine Openeye Name: 2-(2-bromo-5-methylsulfanyl-phenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine CAS Name: 2-[2-bromo-5-(methylthio)phenyl]-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine IUPAC Name: 2-(2-bromo-5-methylsulfanylphenyl)-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine Traditional Name: 2-[2-bromo-5-(methylthio)phenyl]-1-methyl-1-[3-(trifluoromethyl)phenyl]guanidine Formula: C16H15BrF3N3S MolecularWeight: 418.27461

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC(=C1)C(F)(F)F)C(=NC2=C(C=CC(=C2)SC)Br)N

Isomeric SMILES

CN(C1=CC=CC(=C1)C(F)(F)F)C(=NC2=C(C=CC(=C2)SC)Br)N

InChI

InChI=1S/C16H15BrF3N3S/c1-23(11-5-3-4-10(8-11)16(18,19)20)15(21)22-14-9-12(24-2)6-7-13(14)17/h3-9H,1-2H3,(H2,21,22)