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

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-3-[(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)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H20N4OS2/c1-13-14(2)28-21(17(13)12-22)25-19(26)9-10-27-20-11-18(23-15(3)24-20)16-7-5-4-6-8-16/h4-8,11H,9-10H2,1-3H3,(H,25,26)