N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitro-aniline chloride

Systemtic Name: N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitro-aniline chloride Openeye Name: N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-methyl-4-nitro-aniline chloride CAS Name: N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-methyl-4-nitroaniline chloride IUPAC Name: N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline chloride Traditional Name: [(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-methyl-(4-nitrophenyl)amine chloride Formula: C16H16ClN5O3S MolecularWeight: 393.84794

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C=CC(=C2)OC)N=NN(C)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[N+]1=C(SC2=C1C=CC(=C2)OC)/N=N/N(C)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C16H16N5O3S.ClH/c1-19-14-9-8-13(24-3)10-15(14)25-16(19)17-18-20(2)11-4-6-12(7-5-11)21(22)23;/h4-10H,1-3H3;1H/q+1;/p-1