cyclopentane; 1-cyclopentyl-2-[3-(phenylmethyl)-2-sulfanylidene-1,4-dihydroquinazolin-4-yl]ethanone; iron(2+)

Systemtic Name: cyclopentane; 1-cyclopentyl-2-[3-(phenylmethyl)-2-sulfanylidene-1,4-dihydroquinazolin-4-yl]ethanone; iron(2+) Openeye Name: ferrous; 2-(3-benzyl-2-thioxo-1,4-dihydroquinazolin-4-yl)-1-cyclopentyl-ethanone; cyclopentane CAS Name: cyclopentane; 1-cyclopentyl-2-[3-(phenylmethyl)-2-sulfanylidene-1,4-dihydroquinazolin-4-yl]ethanone; iron(2+) IUPAC Name: 2-(3-benzyl-2-sulfanylidene-1,4-dihydroquinazolin-4-yl)-1-cyclopentylethanone; cyclopentane; iron(2+) Traditional Name: ferrous; 2-(3-benzyl-2-thioxo-1,4-dihydroquinazolin-4-yl)-1-cyclopentyl-ethanone; cyclopentane Formula: C27H24FeN2OS+2 MolecularWeight: 480.40226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C3=CC=CC=C3NC2=S)CC(=O)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(C3=CC=CC=C3NC2=S)CC(=O)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C22H19N2OS.C5H5.Fe/c25-21(17-10-4-5-11-17)14-20-18-12-6-7-13-19(18)23-22(26)24(20)15-16-8-2-1-3-9-16;1-2-4-5-3-1;/h1-13,20H,14-15H2,(H,23,26);1-5H;/q;;+2