4-(4-ethoxyphenyl)-6-hexylsulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 4-(4-ethoxyphenyl)-6-hexylsulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(4-ethoxyphenyl)-6-hexylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(4-ethoxyphenyl)-6-(hexylthio)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-(4-ethoxyphenyl)-6-hexylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 6-(hexylthio)-2-keto-4-p-phenetyl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC)C#N

Isomeric SMILES

CCCCCCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC)C#N

InChI

InChI=1S/C20H26N2O2S/c1-3-5-6-7-12-25-20-18(14-21)17(13-19(23)22-20)15-8-10-16(11-9-15)24-4-2/h8-11,17H,3-7,12-13H2,1-2H3,(H,22,23)