(3E)-6-(1,3-benzothiazol-2-yl)-3-(3H-1,3-benzothiazol-2-ylidene)naphthalen-2-one; iron

Systemtic Name: (3E)-6-(1,3-benzothiazol-2-yl)-3-(3H-1,3-benzothiazol-2-ylidene)naphthalen-2-one; iron Openeye Name: (3E)-6-(1,3-benzothiazol-2-yl)-3-(3H-1,3-benzothiazol-2-ylidene)naphthalen-2-one; iron CAS Name: (3E)-6-(1,3-benzothiazol-2-yl)-3-(3H-1,3-benzothiazol-2-ylidene)-2-naphthalenone; iron IUPAC Name: (3E)-6-(1,3-benzothiazol-2-yl)-3-(3H-1,3-benzothiazol-2-ylidene)naphthalen-2-one; iron Traditional Name: (3E)-6-(1,3-benzothiazol-2-yl)-3-(3H-1,3-benzothiazol-2-ylidene)naphthalen-2-one; iron Formula: C72H42FeN6O3S6 MolecularWeight: 1287.37728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C4C=C(C=CC4=CC3=O)C5=NC6=CC=CC=C6S5)S2.C1=CC=C2C(=C1)NC(=C3C=C4C=C(C=CC4=CC3=O)C5=NC6=CC=CC=C6S5)S2.C1=CC=C2C(=C1)NC(=C3C=C4C=C(C=CC4=CC3=O)C5=NC6=CC=CC=C6S5)S2.[Fe]

Isomeric SMILES

C1=CC=C2S/C(=C\3/C(=O)C=C4C(=C3)C=C(C=C4)C5=NC6=CC=CC=C6S5)/NC2=C1.C1=CC=C2S/C(=C\3/C(=O)C=C4C(=C3)C=C(C=C4)C5=NC6=CC=CC=C6S5)/NC2=C1.C1=CC=C2S/C(=C\3/C(=O)C=C4C(=C3)C=C(C=C4)C5=NC6=CC=CC=C6S5)/NC2=C1.[Fe]

InChI

InChI=1S/3C24H14N2OS2.Fe/c3*27-20-13-14-9-10-15(23-25-18-5-1-3-7-21(18)28-23)11-16(14)12-17(20)24-26-19-6-2-4-8-22(19)29-24;/h3*1-13,26H;/b3*24-17+;