iron(3+); [phenyl(propan-2-yl)amino]-sulfaniumylidene-methanethiolate

Systemtic Name: iron(3+); [phenyl(propan-2-yl)amino]-sulfaniumylidene-methanethiolate Openeye Name: ferric (N-isopropylanilino)-sulfoniumylidene-methanethiolate CAS Name: iron(3+); (N-propan-2-ylanilino)-sulfoniumylidenemethanethiolate IUPAC Name: iron(3+); (N-propan-2-ylanilino)-sulfoniumylidenemethanethiolate Traditional Name: ferric (N-isopropylanilino)-sulfoniumylidene-methanethiolate Formula: C30H39FeN3S6+3 MolecularWeight: 689.88576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=[SH+])[S-].CC(C)N(C1=CC=CC=C1)C(=[SH+])[S-].CC(C)N(C1=CC=CC=C1)C(=[SH+])[S-].[Fe+3]

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=[SH+])[S-].CC(C)N(C1=CC=CC=C1)C(=[SH+])[S-].CC(C)N(C1=CC=CC=C1)C(=[SH+])[S-].[Fe+3]

InChI

InChI=1S/3C10H13NS2.Fe/c3*1-8(2)11(10(12)13)9-6-4-3-5-7-9;/h3*3-8H,1-2H3,(H,12,13);/q;;;+3