4-[(6-ethoxy-3-ethyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-diethyl-aniline

Systemtic Name: 4-[(6-ethoxy-3-ethyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-diethyl-aniline Openeye Name: 4-[(6-ethoxy-3-ethyl-1,3-benzothiazol-3-ium-2-yl)azo]-N,N-diethyl-aniline CAS Name: 4-[(6-ethoxy-3-ethyl-1,3-benzothiazol-3-ium-2-yl)azo]-N,N-diethylaniline IUPAC Name: 4-[(6-ethoxy-3-ethyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-diethylaniline Traditional Name: [4-[(6-ethoxy-3-ethyl-1,3-benzothiazol-3-ium-2-yl)azo]phenyl]-diethyl-amine Formula: C21H27N4OS+ MolecularWeight: 383.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)OCC)N=NC3=CC=C(C=C3)N(CC)CC

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC(=C2)OCC)N=NC3=CC=C(C=C3)N(CC)CC

InChI

InChI=1S/C21H27N4OS/c1-5-24(6-2)17-11-9-16(10-12-17)22-23-21-25(7-3)19-14-13-18(26-8-4)15-20(19)27-21/h9-15H,5-8H2,1-4H3/q+1