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

Systemtic Name: (4-ethoxy-3-nitro-phenyl)methyl carbamimidothioate Openeye Name: 2-[(4-ethoxy-3-nitro-phenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (4-ethoxy-3-nitrophenyl)methyl ester IUPAC Name: (4-ethoxy-3-nitrophenyl)methyl carbamimidothioate Traditional Name: 2-(4-ethoxy-3-nitro-benzyl)isothiourea Formula: C10H13N3O3S MolecularWeight: 255.29352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC(=N)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O3S/c1-2-16-9-4-3-7(6-17-10(11)12)5-8(9)13(14)15/h3-5H,2,6H2,1H3,(H3,11,12)