bis(oxidanylidene)molybdenum(2+); 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine; dithiocyanate

Systemtic Name: bis(oxidanylidene)molybdenum(2+); 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine; dithiocyanate Openeye Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridyl)pyridine; dioxomolybdenum(2+); dithiocyanate CAS Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine; dioxomolybdenum(2+); dithiocyanate IUPAC Name: 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine; dioxomolybdenum(2+); dithiocyanate Traditional Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridyl)pyridine; diketomolybdenum(2+); dithiocyanate Formula: C20H24MoN4O2S2 MolecularWeight: 512.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.C(#N)[S-].C(#N)[S-].O=[Mo+2]=O

Isomeric SMILES

CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.C(#N)[S-].C(#N)[S-].O=[Mo+2]=O

InChI

InChI=1S/C18H24N2.2CHNS.Mo.2O/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*2-1-3;;;/h7-12H,1-6H3;2*3H;;;/q;;;+2;;/p-2