N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(6-chlorothiochroman-4-yl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C17H18ClN3OS2 MolecularWeight: 379.92732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2CCSC3=C2C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2CCSC3=C2C=C(C=C3)Cl)C

InChI

InChI=1S/C17H18ClN3OS2/c1-10-7-11(2)20-17(19-10)24-9-16(22)21-14-5-6-23-15-4-3-12(18)8-13(14)15/h3-4,7-8,14H,5-6,9H2,1-2H3,(H,21,22)