(4-chlorophenyl)methyl carbamimidothioate bromide

Systemtic Name: (4-chlorophenyl)methyl carbamimidothioate bromide Openeye Name: 2-[(4-chlorophenyl)methyl]isothiourea bromide CAS Name: carbamimidothioic acid (4-chlorophenyl)methyl ester bromide IUPAC Name: (4-chlorophenyl)methyl carbamimidothioate bromide Traditional Name: 2-(4-chlorobenzyl)isothiourea bromide Formula: C8H9BrClN2S- MolecularWeight: 280.59246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=N)N)Cl.[Br-]

Isomeric SMILES

C1=CC(=CC=C1CSC(=N)N)Cl.[Br-]

InChI

InChI=1S/C8H9ClN2S.BrH/c9-7-3-1-6(2-4-7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H/p-1