(4-cyanophenyl)methyl carbamimidothioate bromide

Systemtic Name: (4-cyanophenyl)methyl carbamimidothioate bromide Openeye Name: 2-[(4-cyanophenyl)methyl]isothiourea bromide CAS Name: carbamimidothioic acid (4-cyanophenyl)methyl ester bromide IUPAC Name: (4-cyanophenyl)methyl carbamimidothioate bromide Traditional Name: 2-(4-cyanobenzyl)isothiourea bromide Formula: C9H9BrN3S- MolecularWeight: 271.15686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3S.BrH/c10-5-7-1-3-8(4-2-7)6-13-9(11)12;/h1-4H,6H2,(H3,11,12);1H/p-1