5-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]pyrimidin-4-yl]-2-methylsulfanyl-4-phenyl-thiophene-3-carbonitrile

Systemtic Name: 5-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]pyrimidin-4-yl]-2-methylsulfanyl-4-phenyl-thiophene-3-carbonitrile Openeye Name: 5-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]pyrimidin-4-yl]-2-methylsulfanyl-4-phenyl-thiophene-3-carbonitrile CAS Name: 5-[2-[2-(4-chlorophenyl)sulfonylethylthio]-4-pyrimidinyl]-2-(methylthio)-4-phenyl-3-thiophenecarbonitrile IUPAC Name: 5-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]pyrimidin-4-yl]-2-methylsulfanyl-4-phenylthiophene-3-carbonitrile Traditional Name: 5-[2-[2-(4-chlorophenyl)sulfonylethylthio]pyrimidin-4-yl]-2-(methylthio)-4-phenyl-thiophene-3-carbonitrile Formula: C24H18ClN3O2S4 MolecularWeight: 544.13162

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H18ClN3O2S4/c1-31-23-19(15-26)21(16-5-3-2-4-6-16)22(33-23)20-11-12-27-24(28-20)32-13-14-34(29,30)18-9-7-17(25)8-10-18/h2-12H,13-14H2,1H3