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

Systemtic Name: N-[(E)-(3-butyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-ethyl-4-methoxy-aniline Openeye Name: N-[(E)-(3-butyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-ethyl-4-methoxy-aniline CAS Name: N-[(E)-(3-butyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-ethyl-4-methoxyaniline IUPAC Name: N-[(E)-(3-butyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-ethyl-4-methoxyaniline Traditional Name: [(E)-(3-butyl-1,3-benzothiazol-3-ium-2-yl)azo]-ethyl-(4-methoxyphenyl)amine Formula: C20H25N4OS+ MolecularWeight: 369.5037

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N4OS/c1-4-6-15-23-18-9-7-8-10-19(18)26-20(23)21-22-24(5-2)16-11-13-17(25-3)14-12-16/h7-14H,4-6,15H2,1-3H3/q+1