2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine

Systemtic Name: 2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine Openeye Name: 2-(4-methylsulfonylphenyl)-4-(2-thienylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethylthio)-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine Traditional Name: 2-(4-mesylphenyl)-4-(2-thenylthio)-6-(trifluoromethyl)pyrimidine Formula: C17H13F3N2O2S3 MolecularWeight: 430.48753

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)SCC3=CC=CS3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)SCC3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O2S3/c1-27(23,24)13-6-4-11(5-7-13)16-21-14(17(18,19)20)9-15(22-16)26-10-12-3-2-8-25-12/h2-9H,10H2,1H3