2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-(methylthio)-1,3-benzothiazol-6-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-(methylthio)-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate Formula: C15H10N3O3S2- MolecularWeight: 344.3882

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H11N3O3S2/c1-22-15-17-12-4-2-10(7-14(12)23-15)16-8-9-6-11(18(20)21)3-5-13(9)19/h2-8,19H,1H3/p-1