[2,3,4,5,6-pentakis(bromanyl)phenyl]methyl carbamimidothioate

Systemtic Name: [2,3,4,5,6-pentakis(bromanyl)phenyl]methyl carbamimidothioate Openeye Name: 2-[(2,3,4,5,6-pentabromophenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (2,3,4,5,6-pentabromophenyl)methyl ester IUPAC Name: (2,3,4,5,6-pentabromophenyl)methyl carbamimidothioate Traditional Name: 2-(2,3,4,5,6-pentabromobenzyl)isothiourea Formula: C8H5Br5N2S MolecularWeight: 560.7237

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)SC(=N)N

Isomeric SMILES

C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)SC(=N)N

InChI

InChI=1S/C8H5Br5N2S/c9-3-2(1-16-8(14)15)4(10)6(12)7(13)5(3)11/h1H2,(H3,14,15)