2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylthio]-4-(4-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylthio]-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C31H27N3OS MolecularWeight: 489.63058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C#N)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C#N)C

InChI

InChI=1S/C31H27N3OS/c1-31(2)18-23-11-7-8-12-25(23)29(34-31)20-36-30-27(19-32)26(21-13-15-24(35-3)16-14-21)17-28(33-30)22-9-5-4-6-10-22/h4-17H,18,20H2,1-3H3