[2-(4-bromanyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] carbamimidothioate

Systemtic Name: [2-(4-bromanyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] carbamimidothioate Openeye Name: 2-[2-(4-bromo-3-nitro-phenyl)-2-oxo-ethyl]isothiourea CAS Name: carbamimidothioic acid [2-(4-bromo-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-nitrophenyl)-2-oxoethyl] carbamimidothioate Traditional Name: 2-[2-(4-bromo-3-nitro-phenyl)-2-keto-ethyl]isothiourea Formula: C9H8BrN3O3S MolecularWeight: 318.14712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)CSC(=N)N)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)CSC(=N)N)[N+](=O)[O-])Br

InChI

InChI=1S/C9H8BrN3O3S/c10-6-2-1-5(3-7(6)13(15)16)8(14)4-17-9(11)12/h1-3H,4H2,(H3,11,12)