N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C19H20N4OS/c1-13-10-16(14-6-4-3-5-7-14)22-18(21-13)25-11-17(24)23-19(2,12-20)15-8-9-15/h3-7,10,15H,8-9,11H2,1-2H3,(H,23,24)/t19-/m1/s1