sodium 2-[[4-[ethyl-(phenylmethyl)amino]phenyl]diazenyl]-1,3-benzothiazole-5-sulfonate

Systemtic Name: sodium 2-[[4-[ethyl-(phenylmethyl)amino]phenyl]diazenyl]-1,3-benzothiazole-5-sulfonate Openeye Name: sodium 2-[4-[benzyl(ethyl)amino]phenyl]azo-1,3-benzothiazole-5-sulfonate CAS Name: sodium 2-[4-[ethyl-(phenylmethyl)amino]phenyl]azo-1,3-benzothiazole-5-sulfonate IUPAC Name: sodium 2-[[4-[benzyl(ethyl)amino]phenyl]diazenyl]-1,3-benzothiazole-5-sulfonate Traditional Name: sodium 2-[4-[benzyl(ethyl)amino]phenyl]azo-1,3-benzothiazole-5-sulfonate Formula: C22H19N4NaO3S2 MolecularWeight: 474.53103

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC4=C(S3)C=CC(=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC4=C(S3)C=CC(=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H20N4O3S2.Na/c1-2-26(15-16-6-4-3-5-7-16)18-10-8-17(9-11-18)24-25-22-23-20-14-19(31(27,28)29)12-13-21(20)30-22;/h3-14H,2,15H2,1H3,(H,27,28,29);/q;+1/p-1