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

Systemtic Name: (4S)-6-hexylsulfanyl-4-(4-hydroxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (4S)-6-hexylsulfanyl-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (4S)-6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (4S)-6-hexylsulfanyl-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (4S)-6-(hexylthio)-4-(4-hydroxyphenyl)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCSC1=C([C@@H](CC(=O)N1)C2=CC=C(C=C2)O)C#N

InChI

InChI=1S/C18H22N2O2S/c1-2-3-4-5-10-23-18-16(12-19)15(11-17(22)20-18)13-6-8-14(21)9-7-13/h6-9,15,21H,2-5,10-11H2,1H3,(H,20,22)/t15-/m0/s1