[(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1-phenylsulfanylcyclopropyl)methanone

Systemtic Name: [(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1-phenylsulfanylcyclopropyl)methanone Openeye Name: [(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1-phenylsulfanylcyclopropyl)methanone CAS Name: [(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[1-(phenylthio)cyclopropyl]methanone IUPAC Name: [(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1-phenylsulfanylcyclopropyl)methanone Traditional Name: [(1S)-1-methylol-3,4-dihydro-1H-isoquinolin-2-yl]-[1-(phenylthio)cyclopropyl]methanone Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CO)C(=O)C3(CC3)SC4=CC=CC=C4

Isomeric SMILES

C1CN([C@@H](C2=CC=CC=C21)CO)C(=O)C3(CC3)SC4=CC=CC=C4

InChI

InChI=1S/C20H21NO2S/c22-14-18-17-9-5-4-6-15(17)10-13-21(18)19(23)20(11-12-20)24-16-7-2-1-3-8-16/h1-9,18,22H,10-14H2/t18-/m1/s1