azanium 2-[2-[4-(diethylamino)phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate

Systemtic Name: azanium 2-[2-[4-(diethylamino)phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate Openeye Name: ammonium 2-[2-[4-(diethylamino)phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate CAS Name: ammonium 2-[2-[4-(diethylamino)phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate IUPAC Name: azanium 2-[2-[4-(diethylamino)phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate Traditional Name: ammonium 2-[2-[4-(diethylamino)phenyl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate Formula: C25H26N4O3S3 MolecularWeight: 526.69394

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C4=NC5=C(S4)C(=C(C=C5)C)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C4=NC5=C(S4)C(=C(C=C5)C)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C25H23N3O3S3.H3N/c1-4-28(5-2)18-10-7-16(8-11-18)24-26-19-13-9-17(14-21(19)32-24)25-27-20-12-6-15(3)23(22(20)33-25)34(29,30)31;/h6-14H,4-5H2,1-3H3,(H,29,30,31);1H3