N-(2-chloranyl-4-methyl-phenyl)-2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-(4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[(4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[(4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C21H16ClN3O2S2 MolecularWeight: 441.95364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H16ClN3O2S2/c1-13-7-8-17(16(22)11-13)23-18(26)12-29-21-24-19-15(9-10-28-19)20(27)25(21)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,26)