zinc; 3-methanidylpyridine; N-(4-methylsulfanylphenyl)carbamate; chloride

Systemtic Name: zinc; 3-methanidylpyridine; N-(4-methylsulfanylphenyl)carbamate; chloride Openeye Name: zinc; 3-methanidylpyridine; N-(4-methylsulfanylphenyl)carbamate; chloride CAS Name: zinc; 3-methanidylpyridine; N-[4-(methylthio)phenyl]carbamate; chloride IUPAC Name: zinc; 3-methanidylpyridine; N-(4-methylsulfanylphenyl)carbamate; chloride Traditional Name: zinc; 3-methanidylpyridine; N-[4-(methylthio)phenyl]carbamate; chloride Formula: C22H22ClN3O4S2Zn-2 MolecularWeight: 557.41978

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)[O-].CSC1=CC=C(C=C1)NC(=O)[O-].[CH2-]C1=CN=CC=C1.[Cl-].[Zn+2]

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)[O-].CSC1=CC=C(C=C1)NC(=O)[O-].[CH2-]C1=CN=CC=C1.[Cl-].[Zn+2]

InChI

InChI=1S/2C8H9NO2S.C6H6N.ClH.Zn/c2*1-12-7-4-2-6(3-5-7)9-8(10)11;1-6-3-2-4-7-5-6;;/h2*2-5,9H,1H3,(H,10,11);2-5H,1H2;1H;/q;;-1;;+2/p-3