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

Systemtic Name: 4-[[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitro-aniline Openeye Name: 4-[[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitro-aniline CAS Name: 4-[[2-[(2,4-dimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitroaniline IUPAC Name: 4-[[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitroaniline Traditional Name: [4-[[2-[(2,4-dimethylbenzyl)thio]-1,3-benzothiazol-6-yl]iminomethyl]-2-nitro-phenyl]-dimethyl-amine Formula: C25H24N4O2S2 MolecularWeight: 476.61366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)N(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)N(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H24N4O2S2/c1-16-5-7-19(17(2)11-16)15-32-25-27-21-9-8-20(13-24(21)33-25)26-14-18-6-10-22(28(3)4)23(12-18)29(30)31/h5-14H,15H2,1-4H3