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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4OS2/c1-13-14(2)27-20(16(13)11-21)24-18(25)8-9-26-19-10-17(22-12-23-19)15-6-4-3-5-7-15/h3-7,10,12H,8-9H2,1-2H3,(H,24,25)