2-[(6-bromanyl-1,3-benzothiazol-2-yl)diazenyl]-5-(dipropylamino)benzenesulfonic acid

Systemtic Name: 2-[(6-bromanyl-1,3-benzothiazol-2-yl)diazenyl]-5-(dipropylamino)benzenesulfonic acid Openeye Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)azo]-5-(dipropylamino)benzenesulfonic acid CAS Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)azo]-5-(dipropylamino)benzenesulfonic acid IUPAC Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)diazenyl]-5-(dipropylamino)benzenesulfonic acid Traditional Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)azo]-5-(dipropylamino)besylic acid Formula: C19H21BrN4O3S2 MolecularWeight: 497.42904

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)Br)S(=O)(=O)O

Isomeric SMILES

CCCN(CCC)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)Br)S(=O)(=O)O

InChI

InChI=1S/C19H21BrN4O3S2/c1-3-9-24(10-4-2)14-6-8-16(18(12-14)29(25,26)27)22-23-19-21-15-7-5-13(20)11-17(15)28-19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,25,26,27)