N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-2-(methylthio)nicotinamide Formula: C16H15ClN2OS2 MolecularWeight: 350.8861

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N[C@H]2CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN2OS2/c1-21-16-11(3-2-7-18-16)15(20)19-13-6-8-22-14-5-4-10(17)9-12(13)14/h2-5,7,9,13H,6,8H2,1H3,(H,19,20)/t13-/m0/s1