3-[Butyl[4-[(6-Nitro-2-Benzothiazolyl)Azo]Phenyl]Amino]Propiononitrile
[CAS# 67905-67-3]

Identification

• Name: 3-[Butyl[4-[(6-Nitro-2-Benzothiazolyl)Azo]Phenyl]Amino]Propiononitrile
• Synonyms: 3-[Butyl-[4-[(6-Nitro-1,3-Benzothiazol-2-Yl)Azo]Phenyl]Amino]Propanenitrile; 3-[Butyl-[4-[(6-Nitro-1,3-Benzothiazol-2-Yl)Azo]Phenyl]Amino]Propionitrile; 6-Nitro-2-(4-((2-Cyanoethyl)Butylamino)Phenylazo)Benzothiazole
• Molecular Formula: C₂₀H₂₀N₆O₂S
• Molecular Weight: 408.48
• CAS Registry Number: 67905-67-3
• EINECS: 267-684-2
• SMILES: C1=C(C=CC2=C1SC(=N2)N=NC3=CC=C(C=C3)N(CCC#N)CCCC)[N+]([O-])=O
• InChI: 1S/C20H20N6O2S/c1-2-3-12-25(13-4-11-21)16-7-5-15(6-8-16)23-24-20-22-18-10-9-17(26(27)28)14-19(18)29-20/h5-10,14H,2-4,12-13H2,1H3
• InChIKey: BDHHMEVHKNSMLP-UHFFFAOYSA-N