4-[[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitro-aniline

Systemtic Name: 4-[[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitro-aniline Openeye Name: 4-[[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitro-aniline CAS Name: 4-[[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitroaniline IUPAC Name: 4-[[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]iminomethyl]-N,N-dimethyl-2-nitroaniline Traditional Name: [4-[[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]iminomethyl]-2-nitro-phenyl]-dimethyl-amine Formula: C24H21N5O5S2 MolecularWeight: 523.58404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=CC(=C4)[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C=NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=CC(=C4)[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O5S2/c1-27(2)20-8-4-15(10-21(20)29(32)33)13-25-17-5-7-19-23(12-17)36-24(26-19)35-14-16-11-18(28(30)31)6-9-22(16)34-3/h4-13H,14H2,1-3H3