2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(4-butylphenyl)-2-oxoethyl]thio]-4-(2-furanyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-4-(2-furyl)-6-phenyl-nicotinonitrile Formula: C28H24N2O2S MolecularWeight: 452.56736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CO4)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CO4)C#N

InChI

InChI=1S/C28H24N2O2S/c1-2-3-8-20-12-14-22(15-13-20)26(31)19-33-28-24(18-29)23(27-11-7-16-32-27)17-25(30-28)21-9-5-4-6-10-21/h4-7,9-17H,2-3,8,19H2,1H3