(2S)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: (2S)-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)[C@H](C)SC2=NC=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H18N4OS2/c1-12-13(2)27-20(16(12)10-21)24-19(25)14(3)26-18-9-17(22-11-23-18)15-7-5-4-6-8-15/h4-9,11,14H,1-3H3,(H,24,25)/t14-/m0/s1