4-(2-chlorophenyl)-2-oxidanyl-6-phenacylsulfanyl-3-thiophen-2-ylcarbonyl-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 4-(2-chlorophenyl)-2-oxidanyl-6-phenacylsulfanyl-3-thiophen-2-ylcarbonyl-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(2-chlorophenyl)-2-hydroxy-6-phenacylsulfanyl-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(2-chlorophenyl)-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-6-(phenacylthio)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-(2-chlorophenyl)-2-hydroxy-6-phenacylsulfanyl-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(2-chlorophenyl)-2-hydroxy-6-(phenacylthio)-3-(2-thenoyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C26H18ClF3N2O3S2 MolecularWeight: 563.01093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=C(C(C(C(N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=C(C(C(C(N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)C4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C26H18ClF3N2O3S2/c27-18-10-5-4-9-16(18)21-17(13-31)24(37-14-19(33)15-7-2-1-3-8-15)32-25(35,26(28,29)30)22(21)23(34)20-11-6-12-36-20/h1-12,21-22,32,35H,14H2