(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(3-methylisoxazol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide CAS Name: (2S)-N-(3-methyl-5-isoxazolyl)-2-[(4-phenyl-1-phthalazinyl)thio]propanamide IUPAC Name: (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide Traditional Name: (2S)-N-(3-methylisoxazol-5-yl)-2-[(4-phenylphthalazin-1-yl)thio]propionamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c1-13-12-18(27-25-13)22-20(26)14(2)28-21-17-11-7-6-10-16(17)19(23-24-21)15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H,22,26)/t14-/m0/s1