2-(5-bromanyl-2,4-dinitro-phenyl)sulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium

Systemtic Name: 2-(5-bromanyl-2,4-dinitro-phenyl)sulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium Openeye Name: 2-(5-bromo-2,4-dinitro-phenyl)sulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium CAS Name: 2-[(5-bromo-2,4-dinitrophenyl)thio]-1,4,5,6-tetrahydropyrimidin-3-ium IUPAC Name: 2-(5-bromo-2,4-dinitrophenyl)sulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium Traditional Name: 2-[(5-bromo-2,4-dinitro-phenyl)thio]-1,4,5,6-tetrahydropyrimidin-3-ium Formula: C10H10BrN4O4S+ MolecularWeight: 362.1798

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=[NH+]C1)SC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1CNC(=[NH+]C1)SC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C10H9BrN4O4S/c11-6-4-9(20-10-12-2-1-3-13-10)8(15(18)19)5-7(6)14(16)17/h4-5H,1-3H2,(H,12,13)/p+1