1-phenyl-2-(3,7,8-trimethylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-phenyl-2-(3,7,8-trimethylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-phenyl-2-[(3,7,8-trimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-phenyl-2-[(3,7,8-trimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-phenyl-2-(3,7,8-trimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-phenyl-2-[(3,7,8-trimethyl-2-quinolyl)thio]ethanone Formula: C20H19NOS MolecularWeight: 321.43596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C)SCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C)SCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H19NOS/c1-13-9-10-17-11-14(2)20(21-19(17)15(13)3)23-12-18(22)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3