2-[2-[bis(azanyl)methylideneazaniumyl]-4-phenyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[2-[bis(azanyl)methylideneazaniumyl]-4-phenyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-(diaminomethyleneammonio)-4-phenyl-thiazol-5-yl]acetate CAS Name: 2-[2-(diaminomethylideneammonio)-4-phenyl-5-thiazolyl]acetate IUPAC Name: 2-[2-(diaminomethylideneazaniumyl)-4-phenyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-(diaminomethyleneammonio)-4-phenyl-thiazol-5-yl]acetate Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=N2)[NH+]=C(N)N)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=N2)[NH+]=C(N)N)CC(=O)[O-]

InChI

InChI=1S/C12H12N4O2S/c13-11(14)16-12-15-10(7-4-2-1-3-5-7)8(19-12)6-9(17)18/h1-5H,6H2,(H,17,18)(H4,13,14,15,16)