(4-bromophenyl)methyl hydrogen carbonate; 1H-pyrimidine-2-thione

Systemtic Name: (4-bromophenyl)methyl hydrogen carbonate; 1H-pyrimidine-2-thione Openeye Name: (4-bromophenyl)methyl hydrogen carbonate; 1H-pyrimidine-2-thione CAS Name: carbonic acid (4-bromophenyl)methyl ester; 1H-pyrimidine-2-thione IUPAC Name: (4-bromophenyl)methyl hydrogen carbonate; 1H-pyrimidine-2-thione Traditional Name: carbonic acid (4-bromobenzyl) ester; 1H-pyrimidine-2-thione Formula: C12H11BrN2O3S MolecularWeight: 343.19634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=S)N=C1.C1=CC(=CC=C1COC(=O)O)Br

Isomeric SMILES

C1=CNC(=S)N=C1.C1=CC(=CC=C1COC(=O)O)Br

InChI

InChI=1S/C8H7BrO3.C4H4N2S/c9-7-3-1-6(2-4-7)5-12-8(10)11;7-4-5-2-1-3-6-4/h1-4H,5H2,(H,10,11);1-3H,(H,5,6,7)