O-ethyl (2-phenacyl-1H-isoquinolin-1-yl)sulfanylmethanethioate

Systemtic Name: O-ethyl (2-phenacyl-1H-isoquinolin-1-yl)sulfanylmethanethioate Openeye Name: O-ethyl (2-phenacyl-1H-isoquinolin-1-yl)sulfanylmethanethioate CAS Name: [(2-phenacyl-1H-isoquinolin-1-yl)thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl (2-phenacyl-1H-isoquinolin-1-yl)sulfanylmethanethioate Traditional Name: [(2-phenacyl-1H-isoquinolin-1-yl)thio]methanethioic acid O-ethyl ester Formula: C20H19NO2S2 MolecularWeight: 369.50036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1C2=CC=CC=C2C=CN1CC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=S)SC1C2=CC=CC=C2C=CN1CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO2S2/c1-2-23-20(24)25-19-17-11-7-6-8-15(17)12-13-21(19)14-18(22)16-9-4-3-5-10-16/h3-13,19H,2,14H2,1H3