bis(azanyl)methylidene-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]ethyl]azanium

Systemtic Name: bis(azanyl)methylidene-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]ethyl]azanium Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]ethyl-(diaminomethylene)ammonium CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]ethyl-(diaminomethylidene)ammonium IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]ethyl-(diaminomethylidene)azanium Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]ethyl-(diaminomethylene)ammonium Formula: C11H17BrN3OS+ MolecularWeight: 319.24118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSCC[NH+]=C(N)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSCC[NH+]=C(N)N

InChI

InChI=1S/C11H16BrN3OS/c1-16-10-3-2-9(12)6-8(10)7-17-5-4-15-11(13)14/h2-3,6H,4-5,7H2,1H3,(H4,13,14,15)/p+1