2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]ethyl]guanidine; sulfuric acid

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]ethyl]guanidine; sulfuric acid Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]ethyl]guanidine; sulfuric acid CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]ethyl]guanidine; sulfuric acid IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]ethyl]guanidine; sulfuric acid Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]ethyl]guanidine; sulfuric acid Formula: C22H34Br2N6O6S3 MolecularWeight: 734.54496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSCCN=C(N)N.COC1=C(C=C(C=C1)Br)CSCCN=C(N)N.OS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSCCN=C(N)N.COC1=C(C=C(C=C1)Br)CSCCN=C(N)N.OS(=O)(=O)O

InChI

InChI=1S/2C11H16BrN3OS.H2O4S/c2*1-16-10-3-2-9(12)6-8(10)7-17-5-4-15-11(13)14;1-5(2,3)4/h2*2-3,6H,4-5,7H2,1H3,(H4,13,14,15);(H2,1,2,3,4)