N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS2/c1-12-13(2)28-21(17(12)11-22)25-20(26)14(3)27-19-10-18(23-15(4)24-19)16-8-6-5-7-9-16/h5-10,14H,1-4H3,(H,25,26)