N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C21H16ClN3O3S3 MolecularWeight: 490.01804

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3O3S3/c1-31(27,28)14-7-8-16(22)17(9-14)25-18(26)11-30-21-19-15(13-5-3-2-4-6-13)10-29-20(19)23-12-24-21/h2-10,12H,11H2,1H3,(H,25,26)