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

Systemtic Name: 2-(2-bromanyl-5-methylsulfanyl-phenyl)-1-(3-ethylphenyl)-1-methyl-guanidine hydrochloride Openeye Name: 2-(2-bromo-5-methylsulfanyl-phenyl)-1-(3-ethylphenyl)-1-methyl-guanidine hydrochloride CAS Name: 2-[2-bromo-5-(methylthio)phenyl]-1-(3-ethylphenyl)-1-methylguanidine hydrochloride IUPAC Name: 2-(2-bromo-5-methylsulfanylphenyl)-1-(3-ethylphenyl)-1-methylguanidine hydrochloride Traditional Name: 2-[2-bromo-5-(methylthio)phenyl]-1-(3-ethylphenyl)-1-methyl-guanidine hydrochloride Formula: C17H21BrClN3S MolecularWeight: 414.79074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(C)C(=NC2=C(C=CC(=C2)SC)Br)N.Cl

Isomeric SMILES

CCC1=CC(=CC=C1)N(C)C(=NC2=C(C=CC(=C2)SC)Br)N.Cl

InChI

InChI=1S/C17H20BrN3S.ClH/c1-4-12-6-5-7-13(10-12)21(2)17(19)20-16-11-14(22-3)8-9-15(16)18;/h5-11H,4H2,1-3H3,(H2,19,20);1H