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

Systemtic Name: bis(azanyl)methylidene-[2-[(5-bromanyl-2-ethoxy-phenyl)methylsulfanyl]ethyl]azanium Openeye Name: 2-[(5-bromo-2-ethoxy-phenyl)methylsulfanyl]ethyl-(diaminomethylene)ammonium CAS Name: 2-[(5-bromo-2-ethoxyphenyl)methylthio]ethyl-(diaminomethylidene)ammonium IUPAC Name: 2-[(5-bromo-2-ethoxyphenyl)methylsulfanyl]ethyl-(diaminomethylidene)azanium Traditional Name: 2-[(5-bromo-2-ethoxy-benzyl)thio]ethyl-(diaminomethylene)ammonium Formula: C12H19BrN3OS+ MolecularWeight: 333.26776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)CSCC[NH+]=C(N)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)CSCC[NH+]=C(N)N

InChI

InChI=1S/C12H18BrN3OS/c1-2-17-11-4-3-10(13)7-9(11)8-18-6-5-16-12(14)15/h3-4,7H,2,5-6,8H2,1H3,(H4,14,15,16)/p+1