2-azanylethyl N'-(4-nitrophenyl)carbamimidothioate; sulfuric acid

Systemtic Name: 2-azanylethyl N'-(4-nitrophenyl)carbamimidothioate; sulfuric acid Openeye Name: 2-(2-aminoethyl)-3-(4-nitrophenyl)isothiourea; sulfuric acid CAS Name: N'-(4-nitrophenyl)carbamimidothioic acid 2-aminoethyl ester; sulfuric acid IUPAC Name: 2-aminoethyl N'-(4-nitrophenyl)carbamimidothioate; sulfuric acid Traditional Name: 2-(2-aminoethyl)-3-(4-nitrophenyl)isothiourea; sulfuric acid Formula: C9H14N4O6S2 MolecularWeight: 338.36066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C(N)SCCN)[N+](=O)[O-].OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=C(N)SCCN)[N+](=O)[O-].OS(=O)(=O)O

InChI

InChI=1S/C9H12N4O2S.H2O4S/c10-5-6-16-9(11)12-7-1-3-8(4-2-7)13(14)15;1-5(2,3)4/h1-4H,5-6,10H2,(H2,11,12);(H2,1,2,3,4)