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

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butyramide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C#N)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C#N)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N4OS2/c1-5-19(21(27)26-22-17(12-23)13(2)14(3)28-22)29-20-11-18(24-15(4)25-20)16-9-7-6-8-10-16/h6-11,19H,5H2,1-4H3,(H,26,27)