[azanyl-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-bromanyl-propyl]sulfanyl-methylidene]azanium

Systemtic Name: [azanyl-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-bromanyl-propyl]sulfanyl-methylidene]azanium Openeye Name: [amino-[2-bromo-3-(1,3-dioxoisoindolin-2-yl)propyl]sulfanyl-methylene]ammonium CAS Name: [amino-[[2-bromo-3-(1,3-dioxo-2-isoindolyl)propyl]thio]methylidene]ammonium IUPAC Name: [amino-[2-bromo-3-(1,3-dioxoisoindol-2-yl)propyl]sulfanylmethylidene]azanium Traditional Name: [amino-[(2-bromo-3-phthalimido-propyl)thio]methylene]ammonium Formula: C12H13BrN3O2S+ MolecularWeight: 343.21952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CSC(=[NH2+])N)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CSC(=[NH2+])N)Br

InChI

InChI=1S/C12H12BrN3O2S/c13-7(6-19-12(14)15)5-16-10(17)8-3-1-2-4-9(8)11(16)18/h1-4,7H,5-6H2,(H3,14,15)/p+1