1-[2-bromanyl-5-(trifluoromethylsulfanyl)phenyl]-2-(3-ethylphenyl)-1-methyl-guanidine

Systemtic Name: 1-[2-bromanyl-5-(trifluoromethylsulfanyl)phenyl]-2-(3-ethylphenyl)-1-methyl-guanidine Openeye Name: 1-[2-bromo-5-(trifluoromethylsulfanyl)phenyl]-2-(3-ethylphenyl)-1-methyl-guanidine CAS Name: 1-[2-bromo-5-(trifluoromethylthio)phenyl]-2-(3-ethylphenyl)-1-methylguanidine IUPAC Name: 1-[2-bromo-5-(trifluoromethylsulfanyl)phenyl]-2-(3-ethylphenyl)-1-methylguanidine Traditional Name: 1-[2-bromo-5-(trifluoromethylthio)phenyl]-2-(3-ethylphenyl)-1-methyl-guanidine Formula: C17H17BrF3N3S MolecularWeight: 432.30119

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N=C(N)N(C)C2=C(C=CC(=C2)SC(F)(F)F)Br

Isomeric SMILES

CCC1=CC(=CC=C1)N=C(N)N(C)C2=C(C=CC(=C2)SC(F)(F)F)Br

InChI

InChI=1S/C17H17BrF3N3S/c1-3-11-5-4-6-12(9-11)23-16(22)24(2)15-10-13(7-8-14(15)18)25-17(19,20)21/h4-10H,3H2,1-2H3,(H2,22,23)