(4-nitrophenyl)methylsulfanylmethanediamine

Systemtic Name: (4-nitrophenyl)methylsulfanylmethanediamine Openeye Name: (4-nitrophenyl)methylsulfanylmethanediamine CAS Name: [(4-nitrophenyl)methylthio]methanediamine IUPAC Name: (4-nitrophenyl)methylsulfanylmethanediamine Traditional Name: [amino-[(4-nitrobenzyl)thio]methyl]amine Formula: C8H11N3O2S MolecularWeight: 213.25684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N3O2S/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13/h1-4,8H,5,9-10H2