2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-4-(4-fluorophenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-4-(4-fluorophenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-(4-fluorophenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-4-(4-fluorophenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-4-(4-fluorophenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C25H23FN2O2S MolecularWeight: 434.525723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC=C(C=C3)F)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC=C(C=C3)F)C#N)C

InChI

InChI=1S/C25H23FN2O2S/c1-14-5-6-19(11-15(14)2)22(30)13-31-25-21(12-27)24(18-7-9-20(26)10-8-18)23(17(4)29)16(3)28-25/h5-11,24,28H,13H2,1-4H3