3-ethyl-2-[(E)-2-(1-ethyl-2-phenyl-indol-3-yl)ethenyl]-6-nitro-2H-1,3-benzothiazole

Systemtic Name: 3-ethyl-2-[(E)-2-(1-ethyl-2-phenyl-indol-3-yl)ethenyl]-6-nitro-2H-1,3-benzothiazole Openeye Name: 3-ethyl-2-[(E)-2-(1-ethyl-2-phenyl-indol-3-yl)vinyl]-6-nitro-2H-1,3-benzothiazole CAS Name: 3-ethyl-2-[(E)-2-(1-ethyl-2-phenyl-3-indolyl)ethenyl]-6-nitro-2H-1,3-benzothiazole IUPAC Name: 3-ethyl-2-[(E)-2-(1-ethyl-2-phenylindol-3-yl)ethenyl]-6-nitro-2H-1,3-benzothiazole Traditional Name: 3-ethyl-2-[(E)-2-(1-ethyl-2-phenyl-indol-3-yl)vinyl]-6-nitro-2H-1,3-benzothiazole Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=C1C=CC(=C2)[N+](=O)[O-])C=CC3=C(N(C4=CC=CC=C43)CC)C5=CC=CC=C5

Isomeric SMILES

CCN1C(SC2=C1C=CC(=C2)[N+](=O)[O-])/C=C/C3=C(N(C4=CC=CC=C43)CC)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2S/c1-3-28-24-16-14-20(30(31)32)18-25(24)33-26(28)17-15-22-21-12-8-9-13-23(21)29(4-2)27(22)19-10-6-5-7-11-19/h5-18,26H,3-4H2,1-2H3/b17-15+