1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4,6-dimethyl-2-thioxo-nicotinonitrile Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=CC(=C(C3=S)C#N)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=CC(=C(C3=S)C#N)C)C)OCC

InChI

InChI=1S/C22H27N3O2S/c1-5-26-20-10-17-7-8-24(13-18(17)11-21(20)27-6-2)14-25-16(4)9-15(3)19(12-23)22(25)28/h9-11H,5-8,13-14H2,1-4H3