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

Systemtic Name: sodium 2-[[4-[ethyl-(phenylmethyl)amino]-3-methyl-phenyl]diazenyl]-1,3-benzothiazole-5-sulfonate Openeye Name: sodium 2-[4-[benzyl(ethyl)amino]-3-methyl-phenyl]azo-1,3-benzothiazole-5-sulfonate CAS Name: sodium 2-[4-[ethyl-(phenylmethyl)amino]-3-methylphenyl]azo-1,3-benzothiazole-5-sulfonate IUPAC Name: sodium 2-[[4-[benzyl(ethyl)amino]-3-methylphenyl]diazenyl]-1,3-benzothiazole-5-sulfonate Traditional Name: sodium 2-[4-[benzyl(ethyl)amino]-3-methyl-phenyl]azo-1,3-benzothiazole-5-sulfonate Formula: C23H21N4NaO3S2 MolecularWeight: 488.55761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S2.Na/c1-3-27(15-17-7-5-4-6-8-17)21-11-9-18(13-16(21)2)25-26-23-24-20-14-19(32(28,29)30)10-12-22(20)31-23;/h4-14H,3,15H2,1-2H3,(H,28,29,30);/q;+1/p-1