[2-(4-cyanooxan-4-yl)phenyl]methyl carbamimidothioate hydrobromide

Systemtic Name: [2-(4-cyanooxan-4-yl)phenyl]methyl carbamimidothioate hydrobromide Openeye Name: 2-[[2-(4-cyanotetrahydropyran-4-yl)phenyl]methyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid [2-(4-cyano-4-oxanyl)phenyl]methyl ester hydrobromide IUPAC Name: [2-(4-cyanooxan-4-yl)phenyl]methyl carbamimidothioate hydrobromide Traditional Name: 2-[2-(4-cyanotetrahydropyran-4-yl)benzyl]isothiourea hydrobromide Formula: C14H18BrN3OS MolecularWeight: 356.28122

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C#N)C2=CC=CC=C2CSC(=N)N.Br

Isomeric SMILES

C1COCCC1(C#N)C2=CC=CC=C2CSC(=N)N.Br

InChI

InChI=1S/C14H17N3OS.BrH/c15-10-14(5-7-18-8-6-14)12-4-2-1-3-11(12)9-19-13(16)17;/h1-4H,5-9H2,(H3,16,17);1H