(2S)-N-(4-methylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: (2S)-2-(6-phenylpyrimidin-4-yl)sulfanyl-N-(p-tolyl)butanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: (2S)-2-[(6-phenylpyrimidin-4-yl)thio]-N-(p-tolyl)butyramide Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)C)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-3-19(21(25)24-17-11-9-15(2)10-12-17)26-20-13-18(22-14-23-20)16-7-5-4-6-8-16/h4-14,19H,3H2,1-2H3,(H,24,25)/t19-/m0/s1