(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one

Systemtic Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one Openeye Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one CAS Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-1-phthalazinyl)thio]-1-propanone IUPAC Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylphthalazin-1-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenylphthalazin-1-yl)thio]propan-1-one Formula: C26H23N3OS MolecularWeight: 425.54532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3OS/c1-18(26(30)29-16-15-19-9-5-6-12-21(19)17-29)31-25-23-14-8-7-13-22(23)24(27-28-25)20-10-3-2-4-11-20/h2-14,18H,15-17H2,1H3/t18-/m1/s1