4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethyl-aniline thiocyanate

Systemtic Name: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethyl-aniline thiocyanate Openeye Name: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N,N-dimethyl-aniline thiocyanate CAS Name: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N,N-dimethylaniline thiocyanate IUPAC Name: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline thiocyanate Traditional Name: [4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]phenyl]-dimethyl-amine thiocyanate Formula: C18H19N5OS2 MolecularWeight: 385.50636

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C=CC(=C2)OC)N=NC3=CC=C(C=C3)N(C)C.C(#N)[S-]

Isomeric SMILES

C[N+]1=C(SC2=C1C=CC(=C2)OC)N=NC3=CC=C(C=C3)N(C)C.C(#N)[S-]

InChI

InChI=1S/C17H19N4OS.CHNS/c1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;2-1-3/h5-11H,1-4H3;3H/q+1;/p-1