(2S)-1-(4-ethoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(4-ethoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-(4-ethoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one CAS Name: (2S)-1-(4-ethoxyphenyl)-2-[(4-phenyl-1-phthalazinyl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropan-1-one Traditional Name: (2S)-2-[(4-phenylphthalazin-1-yl)thio]-1-p-phenetyl-propan-1-one Formula: C25H22N2O2S MolecularWeight: 414.51938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O2S/c1-3-29-20-15-13-19(14-16-20)24(28)17(2)30-25-22-12-8-7-11-21(22)23(26-27-25)18-9-5-4-6-10-18/h4-17H,3H2,1-2H3/t17-/m0/s1