iron(3+); (4-phenylpiperazin-1-yl)-sulfaniumylidene-methanethiolate

Systemtic Name: iron(3+); (4-phenylpiperazin-1-yl)-sulfaniumylidene-methanethiolate Openeye Name: ferric (4-phenylpiperazin-1-yl)-sulfoniumylidene-methanethiolate CAS Name: iron(3+); (4-phenyl-1-piperazinyl)-sulfoniumylidenemethanethiolate IUPAC Name: iron(3+); (4-phenylpiperazin-1-yl)-sulfoniumylidenemethanethiolate Traditional Name: ferric (4-phenylpiperazino)-sulfoniumylidene-methanethiolate Formula: C33H42FeN6S6+3 MolecularWeight: 770.96178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=[SH+])[S-].C1CN(CCN1C2=CC=CC=C2)C(=[SH+])[S-].C1CN(CCN1C2=CC=CC=C2)C(=[SH+])[S-].[Fe+3]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=[SH+])[S-].C1CN(CCN1C2=CC=CC=C2)C(=[SH+])[S-].C1CN(CCN1C2=CC=CC=C2)C(=[SH+])[S-].[Fe+3]

InChI

InChI=1S/3C11H14N2S2.Fe/c3*14-11(15)13-8-6-12(7-9-13)10-4-2-1-3-5-10;/h3*1-5H,6-9H2,(H,14,15);/q;;;+3