4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-methyl-2-nitro-aniline

Systemtic Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-methyl-2-nitro-aniline Openeye Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)vinyl]-N-methyl-2-nitro-aniline CAS Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-methyl-2-nitroaniline IUPAC Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-methyl-2-nitroaniline Traditional Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)vinyl]-2-nitro-phenyl]-methyl-amine Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=C(\C2=NC3=CC=CC=C3N2)/C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O2S/c1-24-18-11-10-14(13-20(18)28(29)30)12-15(22-25-16-6-2-3-7-17(16)26-22)23-27-19-8-4-5-9-21(19)31-23/h2-13,24H,1H3,(H,25,26)/b15-12+