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

Systemtic Name: 2-oxidanylidene-4-(4-phenylmethoxyphenyl)-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 2-oxo-4-(4-phenylmethoxyphenyl)-6-(propylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 2-oxo-4-(4-phenylmethoxyphenyl)-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-2-keto-6-(propylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H22N2O2S/c1-2-12-27-22-20(14-23)19(13-21(25)24-22)17-8-10-18(11-9-17)26-15-16-6-4-3-5-7-16/h3-11,19H,2,12-13,15H2,1H3,(H,24,25)