(2-nitrophenyl)methyl carbamimidothioate

Systemtic Name: (2-nitrophenyl)methyl carbamimidothioate Openeye Name: 2-[(2-nitrophenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl carbamimidothioate Traditional Name: 2-(2-nitrobenzyl)isothiourea Formula: C8H9N3O2S MolecularWeight: 211.24096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O2S/c9-8(10)14-5-6-3-1-2-4-7(6)11(12)13/h1-4H,5H2,(H3,9,10)