iron(3+); [methyl-(4-methylphenyl)amino]-sulfaniumylidene-methanethiolate

Systemtic Name: iron(3+); [methyl-(4-methylphenyl)amino]-sulfaniumylidene-methanethiolate Openeye Name: ferric (N,4-dimethylanilino)-sulfoniumylidene-methanethiolate CAS Name: (N,4-dimethylanilino)-sulfoniumylidenemethanethiolate; iron(3+) IUPAC Name: (N,4-dimethylanilino)-sulfoniumylidenemethanethiolate; iron(3+) Traditional Name: ferric (N,4-dimethylanilino)-sulfoniumylidene-methanethiolate Formula: C27H33FeN3S6+3 MolecularWeight: 647.80602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)C(=[SH+])[S-].CC1=CC=C(C=C1)N(C)C(=[SH+])[S-].CC1=CC=C(C=C1)N(C)C(=[SH+])[S-].[Fe+3]

Isomeric SMILES

CC1=CC=C(C=C1)N(C)C(=[SH+])[S-].CC1=CC=C(C=C1)N(C)C(=[SH+])[S-].CC1=CC=C(C=C1)N(C)C(=[SH+])[S-].[Fe+3]

InChI

InChI=1S/3C9H11NS2.Fe/c3*1-7-3-5-8(6-4-7)10(2)9(11)12;/h3*3-6H,1-2H3,(H,11,12);/q;;;+3