N-(5-nitro-2,1-benzothiazol-3-yl)-1-[4-(2-phenylethynyl)phenyl]methanimine

Systemtic Name: N-(5-nitro-2,1-benzothiazol-3-yl)-1-[4-(2-phenylethynyl)phenyl]methanimine Openeye Name: N-(5-nitro-2,1-benzothiazol-3-yl)-1-[4-(2-phenylethynyl)phenyl]methanimine CAS Name: N-(5-nitro-2,1-benzothiazol-3-yl)-1-[4-(2-phenylethynyl)phenyl]methanimine IUPAC Name: N-(5-nitro-2,1-benzothiazol-3-yl)-1-[4-(2-phenylethynyl)phenyl]methanimine Traditional Name: (E)-(5-nitro-2,1-benzothiazol-3-yl)-[4-(2-phenylethynyl)benzylidene]amine Formula: C22H13N3O2S MolecularWeight: 383.42252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=NC3=C4C=C(C=CC4=NS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)/C=N/C3=C4C=C(C=CC4=NS3)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O2S/c26-25(27)19-12-13-21-20(14-19)22(28-24-21)23-15-18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-15H/b23-15+