(2S)-3-(1H-imidazol-5-yl)-2-[(2-nitrophenyl)sulfanylazaniumyl]propanoate

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(2-nitrophenyl)sulfanylazaniumyl]propanoate Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[(2-nitrophenyl)sulfanylammonio]propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(2-nitrophenyl)thio]ammonio]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[(2-nitrophenyl)sulfanylazaniumyl]propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(2-nitrophenyl)thio]ammonio]propionate Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S[NH2+]C(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S[NH2+][C@@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C12H12N4O4S/c17-12(18)9(5-8-6-13-7-14-8)15-21-11-4-2-1-3-10(11)16(19)20/h1-4,6-7,9,15H,5H2,(H,13,14)(H,17,18)/t9-/m0/s1