(3-nitro-4-oxidanyl-phenyl)methyl carbamimidothioate

Systemtic Name: (3-nitro-4-oxidanyl-phenyl)methyl carbamimidothioate Openeye Name: 2-[(4-hydroxy-3-nitro-phenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (4-hydroxy-3-nitrophenyl)methyl ester IUPAC Name: (4-hydroxy-3-nitrophenyl)methyl carbamimidothioate Traditional Name: 2-(4-hydroxy-3-nitro-benzyl)isothiourea Formula: C8H9N3O3S MolecularWeight: 227.24036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC(=N)N)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1CSC(=N)N)[N+](=O)[O-])O

InChI

InChI=1S/C8H9N3O3S/c9-8(10)15-4-5-1-2-7(12)6(3-5)11(13)14/h1-3,12H,4H2,(H3,9,10)