2-azanylethyl N'-(4-nitrophenyl)carbamimidothioate

Systemtic Name: 2-azanylethyl N'-(4-nitrophenyl)carbamimidothioate Openeye Name: 2-(2-aminoethyl)-3-(4-nitrophenyl)isothiourea CAS Name: N'-(4-nitrophenyl)carbamimidothioic acid 2-aminoethyl ester IUPAC Name: 2-aminoethyl N'-(4-nitrophenyl)carbamimidothioate Traditional Name: 2-(2-aminoethyl)-3-(4-nitrophenyl)isothiourea Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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