3-[3,5-bis(methylsulfanyl)pentalen-1-yl]pyridine; zirconium(2+); dichloride

Systemtic Name: 3-[3,5-bis(methylsulfanyl)pentalen-1-yl]pyridine; zirconium(2+); dichloride Openeye Name: 3-[3,5-bis(methylsulfanyl)pentalen-1-yl]pyridine; zirconium(2+); dichloride CAS Name: 3-[3,5-bis(methylthio)-1-pentalenyl]pyridine; zirconium(2+); dichloride IUPAC Name: 3-[3,5-bis(methylsulfanyl)pentalen-1-yl]pyridine; zirconium(2+); dichloride Traditional Name: 3-[3,5-bis(methylthio)pentalen-1-yl]pyridine; zirconium(2+); dichloride Formula: C30H26Cl2N2S4Zr MolecularWeight: 704.93084

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C(C2=C1)SC)C3=CN=CC=C3.CSC1=CC2=C(C=C(C2=C1)SC)C3=CN=CC=C3.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CSC1=CC2=C(C=C(C2=C1)SC)C3=CN=CC=C3.CSC1=CC2=C(C=C(C2=C1)SC)C3=CN=CC=C3.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C15H13NS2.2ClH.Zr/c2*1-17-11-6-13-12(10-4-3-5-16-9-10)8-15(18-2)14(13)7-11;;;/h2*3-9H,1-2H3;2*1H;/q;;;;+2/p-2