4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)-2,3-dihydropyran-2-yl]benzenecarbonitrile

Systemtic Name: 4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)-2,3-dihydropyran-2-yl]benzenecarbonitrile Openeye Name: 4-(5-benzylsulfanyl-6-hydroxy-4-oxo-2,3-dihydropyran-2-yl)benzonitrile CAS Name: 4-[6-hydroxy-4-oxo-5-(phenylmethylthio)-2,3-dihydropyran-2-yl]benzonitrile IUPAC Name: 4-(5-benzylsulfanyl-6-hydroxy-4-oxo-2,3-dihydropyran-2-yl)benzonitrile Traditional Name: 4-[5-(benzylthio)-6-hydroxy-4-keto-2,3-dihydropyran-2-yl]benzonitrile Formula: C19H15NO3S MolecularWeight: 337.3923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=C(C1=O)SCC2=CC=CC=C2)O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1C(OC(=C(C1=O)SCC2=CC=CC=C2)O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H15NO3S/c20-11-13-6-8-15(9-7-13)17-10-16(21)18(19(22)23-17)24-12-14-4-2-1-3-5-14/h1-9,17,22H,10,12H2