methanidylbenzene; 1-(3-propylpyridin-2-yl)ethanethiolate; zirconium(3+)

Systemtic Name: methanidylbenzene; 1-(3-propylpyridin-2-yl)ethanethiolate; zirconium(3+) Openeye Name: methanidylbenzene; 1-(3-propyl-2-pyridyl)ethanethiolate; zirconium(3+) CAS Name: methanidylbenzene; 1-(3-propyl-2-pyridinyl)ethanethiolate; zirconium(3+) IUPAC Name: methanidylbenzene; 1-(3-propylpyridin-2-yl)ethanethiolate; zirconium(3+) Traditional Name: methanidylbenzene; 1-(3-propyl-2-pyridyl)ethanethiolate; zirconium(3+) Formula: C24H28NSZr MolecularWeight: 453.77482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=CC=C1)C(C)[S-].[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+3]

Isomeric SMILES

CCCC1=C(N=CC=C1)C(C)[S-].[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+3]

InChI

InChI=1S/C10H15NS.2C7H7.Zr/c1-3-5-9-6-4-7-11-10(9)8(2)12;2*1-7-5-3-2-4-6-7;/h4,6-8,12H,3,5H2,1-2H3;2*2-6H,1H2;/q;2*-1;+3/p-1