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

Systemtic Name: 2-(3-bromanyl-2-chloranyl-5-methylsulfanyl-phenyl)-1-(3-ethylphenyl)-1-methyl-guanidine hydrochloride Openeye Name: 2-(3-bromo-2-chloro-5-methylsulfanyl-phenyl)-1-(3-ethylphenyl)-1-methyl-guanidine hydrochloride CAS Name: 2-[3-bromo-2-chloro-5-(methylthio)phenyl]-1-(3-ethylphenyl)-1-methylguanidine hydrochloride IUPAC Name: 2-(3-bromo-2-chloro-5-methylsulfanylphenyl)-1-(3-ethylphenyl)-1-methylguanidine hydrochloride Traditional Name: 2-[3-bromo-2-chloro-5-(methylthio)phenyl]-1-(3-ethylphenyl)-1-methyl-guanidine hydrochloride Formula: C17H20BrCl2N3S MolecularWeight: 449.2358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(C)C(=NC2=CC(=CC(=C2Cl)Br)SC)N.Cl

Isomeric SMILES

CCC1=CC(=CC=C1)N(C)C(=NC2=CC(=CC(=C2Cl)Br)SC)N.Cl

InChI

InChI=1S/C17H19BrClN3S.ClH/c1-4-11-6-5-7-12(8-11)22(2)17(20)21-15-10-13(23-3)9-14(18)16(15)19;/h5-10H,4H2,1-3H3,(H2,20,21);1H