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

Systemtic Name: N-[(E)-(3-butyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-ethyl-4-nitro-aniline Openeye Name: N-[(E)-(3-butyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-ethyl-4-nitro-aniline CAS Name: N-[(E)-(3-butyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-ethyl-4-nitroaniline IUPAC Name: N-[(E)-(3-butyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-ethyl-4-nitroaniline Traditional Name: [(E)-(3-butyl-1,3-benzothiazol-3-ium-2-yl)azo]-ethyl-(4-nitrophenyl)amine Formula: C19H22N5O2S+ MolecularWeight: 384.47528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(SC2=CC=CC=C21)N=NN(CC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC[N+]1=C(SC2=CC=CC=C21)/N=N/N(CC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N5O2S/c1-3-5-14-22-17-8-6-7-9-18(17)27-19(22)20-21-23(4-2)15-10-12-16(13-11-15)24(25)26/h6-13H,3-5,14H2,1-2H3/q+1