4-methylsulfanyl-2-oxidanylidene-6-[4-[2-(5,6,7,8-tetrahydroisoquinolin-1-yl)ethoxy]phenyl]pyran-3-carbonitrile

Systemtic Name: 4-methylsulfanyl-2-oxidanylidene-6-[4-[2-(5,6,7,8-tetrahydroisoquinolin-1-yl)ethoxy]phenyl]pyran-3-carbonitrile Openeye Name: 4-methylsulfanyl-2-oxo-6-[4-[2-(5,6,7,8-tetrahydroisoquinolin-1-yl)ethoxy]phenyl]pyran-3-carbonitrile CAS Name: 4-(methylthio)-2-oxo-6-[4-[2-(5,6,7,8-tetrahydroisoquinolin-1-yl)ethoxy]phenyl]-3-pyrancarbonitrile IUPAC Name: 4-methylsulfanyl-2-oxo-6-[4-[2-(5,6,7,8-tetrahydroisoquinolin-1-yl)ethoxy]phenyl]pyran-3-carbonitrile Traditional Name: 2-keto-4-(methylthio)-6-[4-[2-(5,6,7,8-tetrahydroisoquinolin-1-yl)ethoxy]phenyl]pyran-3-carbonitrile Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)OC(=C1)C2=CC=C(C=C2)OCCC3=NC=CC4=C3CCCC4)C#N

Isomeric SMILES

CSC1=C(C(=O)OC(=C1)C2=CC=C(C=C2)OCCC3=NC=CC4=C3CCCC4)C#N

InChI

InChI=1S/C24H22N2O3S/c1-30-23-14-22(29-24(27)20(23)15-25)17-6-8-18(9-7-17)28-13-11-21-19-5-3-2-4-16(19)10-12-26-21/h6-10,12,14H,2-5,11,13H2,1H3