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

Systemtic Name: 1-(4-bromophenyl)-N-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine Openeye Name: 1-(4-bromophenyl)-N-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine CAS Name: 1-(4-bromophenyl)-N-[2-[(4-methoxy-3-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]methanimine IUPAC Name: 1-(4-bromophenyl)-N-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine Traditional Name: (4-bromobenzylidene)-[2-[(4-methoxy-3-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]amine Formula: C22H16BrN3O3S2 MolecularWeight: 514.41474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O3S2/c1-29-20-9-4-15(10-19(20)26(27)28)13-30-22-25-18-8-7-17(11-21(18)31-22)24-12-14-2-5-16(23)6-3-14/h2-12H,13H2,1H3