2-[ethyl-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]amino]ethanol thiocyanate

Systemtic Name: 2-[ethyl-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]amino]ethanol thiocyanate Openeye Name: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]ethanol thiocyanate CAS Name: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]ethanol thiocyanate IUPAC Name: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol thiocyanate Traditional Name: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]ethanol thiocyanate Formula: C20H23N5O2S2 MolecularWeight: 429.55892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.C(#N)[S-]

Isomeric SMILES

CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.C(#N)[S-]

InChI

InChI=1S/C19H23N4O2S.CHNS/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;2-1-3/h5-10,13,24H,4,11-12H2,1-3H3;3H/q+1;/p-1