molybdenum(2+); oxoazane; pyridine-2-thiolate; dihydrate

Systemtic Name: molybdenum(2+); oxoazane; pyridine-2-thiolate; dihydrate Openeye Name: molybdenum(2+); nitroxyl; pyridine-2-thiolate; dihydrate CAS Name: molybdenum(2+); nitrosyl hydride; 2-pyridinethiolate; dihydrate IUPAC Name: molybdenum(2+); nitroxyl; pyridine-2-thiolate; dihydrate Traditional Name: molybdenum(2+); nitrosyl hydride; pyridine-2-thiolate; dihydrate Formula: C20H22Mo2N6O4S4 MolecularWeight: 730.56648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)[S-].C1=CC=NC(=C1)[S-].C1=CC=NC(=C1)[S-].C1=CC=NC(=C1)[S-].N=O.N=O.O.O.[Mo+2].[Mo+2]

Isomeric SMILES

C1=CC=NC(=C1)[S-].C1=CC=NC(=C1)[S-].C1=CC=NC(=C1)[S-].C1=CC=NC(=C1)[S-].N=O.N=O.O.O.[Mo+2].[Mo+2]

InChI

InChI=1S/4C5H5NS.2Mo.2HNO.2H2O/c4*7-5-3-1-2-4-6-5;;;2*1-2;;/h4*1-4H,(H,6,7);;;2*1H;2*1H2/q;;;;2*+2;;;;/p-4