tert-butyl-(3,5-dimethylphenyl)azanide; molybdenum(4+); [phenyl(phenylsulfanyl)methylidene]azanide

Systemtic Name: tert-butyl-(3,5-dimethylphenyl)azanide; molybdenum(4+); [phenyl(phenylsulfanyl)methylidene]azanide Openeye Name: tert-butyl-(3,5-dimethylphenyl)azanide; molybdenum(4+); [phenyl(phenylsulfanyl)methylene]azanide CAS Name: tert-butyl-(3,5-dimethylphenyl)azanide; molybdenum(4+); [phenyl-(phenylthio)methylidene]azanide IUPAC Name: tert-butyl-(3,5-dimethylphenyl)azanide; molybdenum(4+); [phenyl(phenylsulfanyl)methylidene]azanide Traditional Name: tert-butyl-(3,5-dimethylphenyl)azanide; molybdenum(4+); [phenyl-(phenylthio)methylene]azanide Formula: C49H64MoN4S MolecularWeight: 837.06426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.C1=CC=C(C=C1)C(=[N-])SC2=CC=CC=C2.[Mo+4]

Isomeric SMILES

CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.C1=CC=C(C=C1)C(=[N-])SC2=CC=CC=C2.[Mo+4]

InChI

InChI=1S/C13H10NS.3C12H18N.Mo/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;3*1-9-6-10(2)8-11(7-9)13-12(3,4)5;/h1-10H;3*6-8H,1-5H3;/q4*-1;+4