1-(4-fluorophenyl)-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine

Systemtic Name: 1-(4-fluorophenyl)-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine Openeye Name: 1-(4-fluorophenyl)-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine CAS Name: 1-(4-fluorophenyl)-N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]methanimine IUPAC Name: 1-(4-fluorophenyl)-N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine Traditional Name: (4-fluorobenzylidene)-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]amine Formula: C22H16FN3O3S2 MolecularWeight: 453.509143

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C22H16FN3O3S2/c1-29-20-9-7-18(26(27)28)10-15(20)13-30-22-25-19-8-6-17(11-21(19)31-22)24-12-14-2-4-16(23)5-3-14/h2-12H,13H2,1H3