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

Systemtic Name: N,N-dimethyl-2-nitro-4-[[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]iminomethyl]aniline Openeye Name: 4-[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]-N,N-dimethyl-2-nitro-aniline CAS Name: N,N-dimethyl-2-nitro-4-[[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]iminomethyl]aniline IUPAC Name: 4-[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]-N,N-dimethyl-2-nitroaniline Traditional Name: [4-[[2-(benzylthio)-1,3-benzothiazol-6-yl]iminomethyl]-2-nitro-phenyl]-dimethyl-amine Formula: C23H20N4O2S2 MolecularWeight: 448.5605

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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=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O2S2/c1-26(2)20-11-8-17(12-21(20)27(28)29)14-24-18-9-10-19-22(13-18)31-23(25-19)30-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3