N-[5-(diethylamino)-2-[(6-phenyldiazenyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]propane-1-sulfonimidic acid

Systemtic Name: N-[5-(diethylamino)-2-[(6-phenyldiazenyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]propane-1-sulfonimidic acid Openeye Name: N-[5-(diethylamino)-2-[(6-phenylazo-1,3-benzothiazol-2-yl)azo]phenyl]propane-1-sulfonimidic acid CAS Name: N-[5-(diethylamino)-2-[(6-phenyldiazenyl-1,3-benzothiazol-2-yl)azo]phenyl]-1-propanesulfonimidic acid IUPAC Name: N-[5-(diethylamino)-2-[(6-phenyldiazenyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]propane-1-sulfonimidic acid Traditional Name: N-[5-(diethylamino)-2-[(6-phenylazo-1,3-benzothiazol-2-yl)azo]phenyl]propane-1-sulfonimidic acid Formula: C26H29N7O2S2 MolecularWeight: 535.68416

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=NC1=C(C=CC(=C1)N(CC)CC)N=NC2=NC3=C(S2)C=C(C=C3)N=NC4=CC=CC=C4)(=O)O

Isomeric SMILES

CCCS(=NC1=C(C=CC(=C1)N(CC)CC)N=NC2=NC3=C(S2)C=C(C=C3)N=NC4=CC=CC=C4)(=O)O

InChI

InChI=1S/C26H29N7O2S2/c1-4-16-37(34,35)32-24-18-21(33(5-2)6-3)13-15-22(24)30-31-26-27-23-14-12-20(17-25(23)36-26)29-28-19-10-8-7-9-11-19/h7-15,17-18H,4-6,16H2,1-3H3,(H,32,34,35)