4-azanyl-2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidin-1-ium-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidin-1-ium-5-carbonitrile Openeye Name: 4-amino-2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidin-1-ium-5-carbonitrile CAS Name: 4-amino-2-[(2-chlorophenyl)methylthio]-6-(methylthio)-5-pyrimidin-1-iumcarbonitrile IUPAC Name: 4-amino-2-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylpyrimidin-1-ium-5-carbonitrile Traditional Name: 4-amino-2-[(2-chlorobenzyl)thio]-6-(methylthio)pyrimidin-1-ium-5-carbonitrile Formula: C13H12ClN4S2+ MolecularWeight: 323.84418

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[NH+]C(=NC(=C1C#N)N)SCC2=CC=CC=C2Cl

Isomeric SMILES

CSC1=[NH+]C(=NC(=C1C#N)N)SCC2=CC=CC=C2Cl

InChI

InChI=1S/C13H11ClN4S2/c1-19-12-9(6-15)11(16)17-13(18-12)20-7-8-4-2-3-5-10(8)14/h2-5H,7H2,1H3,(H2,16,17,18)/p+1