(2S)-N-(2,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[(4-phenyl-1-phthalazinyl)thio]propanamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[(4-phenylphthalazin-1-yl)thio]propionamide Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3OS/c1-16-13-14-17(2)22(15-16)26-24(29)18(3)30-25-21-12-8-7-11-20(21)23(27-28-25)19-9-5-4-6-10-19/h4-15,18H,1-3H3,(H,26,29)/t18-/m0/s1