2-azanyl-4-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[2-(4-chlorophenyl)sulfonylethylthio]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[2-(4-chlorophenyl)sulfonylethylthio]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C14H13ClN4O2S3 MolecularWeight: 400.92662

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)N)SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)N)SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C14H13ClN4O2S3/c1-22-12-11(8-16)13(19-14(17)18-12)23-6-7-24(20,21)10-4-2-9(15)3-5-10/h2-5H,6-7H2,1H3,(H2,17,18,19)