1-(4-nitrophenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine

Systemtic Name: 1-(4-nitrophenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine Openeye Name: 1-(4-nitrophenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine CAS Name: 1-(4-nitrophenyl)-N-[2-[(4-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]methanimine IUPAC Name: 1-(4-nitrophenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine Traditional Name: (4-nitrobenzylidene)-[2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-yl]amine Formula: C21H14N4O4S2 MolecularWeight: 450.49026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O4S2/c26-24(27)17-6-1-14(2-7-17)12-22-16-5-10-19-20(11-16)31-21(23-19)30-13-15-3-8-18(9-4-15)25(28)29/h1-12H,13H2