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(3-cyanophenyl)methyl carbamimidothioate bromide

(3-cyanophenyl)methyl carbamimidothioate bromide

Systemtic Name:(3-cyanophenyl)methyl carbamimidothioate bromide
Openeye Name:2-[(3-cyanophenyl)methyl]isothiourea bromide
CAS Name:carbamimidothioic acid (3-cyanophenyl)methyl ester bromide
IUPAC Name:(3-cyanophenyl)methyl carbamimidothioate bromide
Traditional Name:2-(3-cyanobenzyl)isothiourea bromide
Formula: C9H9BrN3S-
MolecularWeight: 271.15686
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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