2-[2-(2-ethylsulfanylpyridin-3-yl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[2-(2-ethylsulfanylpyridin-3-yl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[2-(2-ethylsulfanylpyridine-3-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[2-[[2-(ethylthio)-3-pyridinyl]-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[2-(2-ethylsulfanylpyridine-3-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[2-[2-(ethylthio)nicotinoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)N2CCC3=CC(=C(C=C3C2CC#N)OC)OC

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N2CCC3=CC(=C(C=C3C2CC#N)OC)OC

InChI

InChI=1S/C21H23N3O3S/c1-4-28-20-15(6-5-10-23-20)21(25)24-11-8-14-12-18(26-2)19(27-3)13-16(14)17(24)7-9-22/h5-6,10,12-13,17H,4,7-8,11H2,1-3H3