N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C)C

InChI

InChI=1S/C21H21N5OS2/c1-12-15(4)29-21-18(12)20(22-11-23-21)28-10-17(27)24-19-13(2)25-26(14(19)3)16-8-6-5-7-9-16/h5-9,11H,10H2,1-4H3,(H,24,27)