cyclopentane; N-[cyclopentyl(phenyl)methyl]-1,3-benzothiazol-2-amine; iron(2+)

Systemtic Name: cyclopentane; N-[cyclopentyl(phenyl)methyl]-1,3-benzothiazol-2-amine; iron(2+) Openeye Name: ferrous; cyclopentane; N-[cyclopentyl(phenyl)methyl]-1,3-benzothiazol-2-amine CAS Name: cyclopentane; N-[cyclopentyl(phenyl)methyl]-1,3-benzothiazol-2-amine; iron(2+) IUPAC Name: cyclopentane; N-[cyclopentyl(phenyl)methyl]-1,3-benzothiazol-2-amine; iron(2+) Traditional Name: ferrous; 1,3-benzothiazol-2-yl-[cyclopentyl(phenyl)methyl]amine; cyclopentane Formula: C24H20FeN2S+2 MolecularWeight: 424.339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C([C]2[CH][CH][CH][CH]2)NC3=NC4=CC=CC=C4S3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C([C]2[CH][CH][CH][CH]2)NC3=NC4=CC=CC=C4S3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C19H15N2S.C5H5.Fe/c1-2-8-14(9-3-1)18(15-10-4-5-11-15)21-19-20-16-12-6-7-13-17(16)22-19;1-2-4-5-3-1;/h1-13,18H,(H,20,21);1-5H;/q;;+2