N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-(3-nitrophenyl)methanimine

Systemtic Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-(3-nitrophenyl)methanimine Openeye Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-(3-nitrophenyl)methanimine CAS Name: N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]-1-(3-nitrophenyl)methanimine IUPAC Name: N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-(3-nitrophenyl)methanimine Traditional Name: [2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]-(3-nitrobenzylidene)amine Formula: C22H16N4O5S2 MolecularWeight: 480.51624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5S2/c1-31-20-8-6-18(26(29)30)10-15(20)13-32-22-24-19-7-5-16(11-21(19)33-22)23-12-14-3-2-4-17(9-14)25(27)28/h2-12H,13H2,1H3