4-[[2-(2,2-dimethylpropylsulfanyl)-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitro-aniline

Systemtic Name: 4-[[2-(2,2-dimethylpropylsulfanyl)-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitro-aniline Openeye Name: 4-[[2-(2,2-dimethylpropylsulfanyl)-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitro-aniline CAS Name: 4-[[2-(2,2-dimethylpropylthio)-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitroaniline IUPAC Name: 4-[[2-(2,2-dimethylpropylsulfanyl)-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitroaniline Traditional Name: dimethyl-[4-[[2-(neopentylthio)-1,3-benzothiazol-6-yl]iminomethyl]-2-nitro-phenyl]amine Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CSC1=NC2=C(S1)C=C(C=C2)N=CC3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CSC1=NC2=C(S1)C=C(C=C2)N=CC3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O2S2/c1-21(2,3)13-28-20-23-16-8-7-15(11-19(16)29-20)22-12-14-6-9-17(24(4)5)18(10-14)25(26)27/h6-12H,13H2,1-5H3