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

Systemtic Name: N-ethyl-N-[(E)-(3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-4-nitro-aniline Openeye Name: N-ethyl-N-[(E)-(3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-4-nitro-aniline CAS Name: N-ethyl-N-[(E)-(3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-4-nitroaniline IUPAC Name: N-ethyl-N-[(E)-(3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-4-nitroaniline Traditional Name: ethyl-[(E)-(3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-(4-nitrophenyl)amine Formula: C16H16N5O2S+ MolecularWeight: 342.39554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)[N+](=O)[O-])N=NC2=[N+](C3=CC=CC=C3S2)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)[N+](=O)[O-])/N=N/C2=[N+](C3=CC=CC=C3S2)C

InChI

InChI=1S/C16H16N5O2S/c1-3-20(12-8-10-13(11-9-12)21(22)23)18-17-16-19(2)14-6-4-5-7-15(14)24-16/h4-11H,3H2,1-2H3/q+1