(4-cyanophenyl)methyl N'-azanylcarbamimidothioate hydrobromide

Systemtic Name: (4-cyanophenyl)methyl N'-azanylcarbamimidothioate hydrobromide Openeye Name: 3-amino-2-[(4-cyanophenyl)methyl]isothiourea hydrobromide CAS Name: N'-aminocarbamimidothioic acid (4-cyanophenyl)methyl ester hydrobromide IUPAC Name: (4-cyanophenyl)methyl N'-aminocarbamimidothioate hydrobromide Traditional Name: 3-amino-2-(4-cyanobenzyl)isothiourea hydrobromide Formula: C9H11BrN4S MolecularWeight: 287.17944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=NN)N)C#N.Br

Isomeric SMILES

C1=CC(=CC=C1CS/C(=N/N)/N)C#N.Br

InChI

InChI=1S/C9H10N4S.BrH/c10-5-7-1-3-8(4-2-7)6-14-9(11)13-12;/h1-4H,6,12H2,(H2,11,13);1H