zinc 1-(3-phenylpropyl)-2-sulfanylidene-pyridin-3-olate

Systemtic Name: zinc 1-(3-phenylpropyl)-2-sulfanylidene-pyridin-3-olate Openeye Name: zinc 1-(3-phenylpropyl)-2-thioxo-pyridin-3-olate CAS Name: zinc 1-(3-phenylpropyl)-2-sulfanylidene-3-pyridinolate IUPAC Name: zinc 1-(3-phenylpropyl)-2-sulfanylidenepyridin-3-olate Traditional Name: zinc 1-(3-phenylpropyl)-2-thioxo-pyridin-3-olate Formula: C28H28N2O2S2Zn MolecularWeight: 554.07312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C=CC=C(C2=S)[O-].C1=CC=C(C=C1)CCCN2C=CC=C(C2=S)[O-].[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C=CC=C(C2=S)[O-].C1=CC=C(C=C1)CCCN2C=CC=C(C2=S)[O-].[Zn+2]

InChI

InChI=1S/2C14H15NOS.Zn/c2*16-13-9-5-11-15(14(13)17)10-4-8-12-6-2-1-3-7-12;/h2*1-3,5-7,9,11,16H,4,8,10H2;/q;;+2/p-2