(4-cyanophenyl)methyl N'-azanylcarbamimidothioate bromide

Systemtic Name: (4-cyanophenyl)methyl N'-azanylcarbamimidothioate bromide Openeye Name: 3-amino-2-[(4-cyanophenyl)methyl]isothiourea bromide CAS Name: N'-aminocarbamimidothioic acid (4-cyanophenyl)methyl ester bromide IUPAC Name: (4-cyanophenyl)methyl N'-aminocarbamimidothioate bromide Traditional Name: 3-amino-2-(4-cyanobenzyl)isothiourea bromide Formula: C9H10BrN4S- MolecularWeight: 286.1715

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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/p-1