2-(3-chloranyl-4-sulfanyl-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one

Systemtic Name: 2-(3-chloranyl-4-sulfanyl-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Openeye Name: 2-(3-chloro-4-sulfanyl-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one CAS Name: 2-(3-chloro-4-mercaptophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-propen-1-one IUPAC Name: 2-(3-chloro-4-sulfanylphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Traditional Name: 2-(3-chloro-4-mercapto-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Formula: C18H16ClNOS MolecularWeight: 329.84374

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)Cl)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)Cl)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H16ClNOS/c1-12(14-6-7-17(22)16(19)10-14)18(21)20-9-8-13-4-2-3-5-15(13)11-20/h2-7,10,22H,1,8-9,11H2