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

Systemtic Name: [2-(4-cyanooxan-4-yl)phenyl]methyl carbamimidothioate bromide Openeye Name: 2-[[2-(4-cyanotetrahydropyran-4-yl)phenyl]methyl]isothiourea bromide CAS Name: carbamimidothioic acid [2-(4-cyano-4-oxanyl)phenyl]methyl ester bromide IUPAC Name: [2-(4-cyanooxan-4-yl)phenyl]methyl carbamimidothioate bromide Traditional Name: 2-[2-(4-cyanotetrahydropyran-4-yl)benzyl]isothiourea bromide Formula: C14H17BrN3OS- MolecularWeight: 355.27328

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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/p-1