(2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide CAS Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(4-phenyl-1-phthalazinyl)thio]propanamide IUPAC Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide Traditional Name: (2S)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(4-phenylphthalazin-1-yl)thio]propionamide Formula: C28H25N5O2S MolecularWeight: 495.5954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H25N5O2S/c1-18-24(28(35)33(32(18)3)21-14-8-5-9-15-21)29-26(34)19(2)36-27-23-17-11-10-16-22(23)25(30-31-27)20-12-6-4-7-13-20/h4-17,19H,1-3H3,(H,29,34)/t19-/m0/s1