6-ethylsulfanyl-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 6-ethylsulfanyl-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 6-(ethylthio)-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 6-ethylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-6-(ethylthio)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N2O2S/c1-2-26-21-19(13-22)18(12-20(24)23-21)16-8-10-17(11-9-16)25-14-15-6-4-3-5-7-15/h3-11,18H,2,12,14H2,1H3,(H,23,24)