(3S)-6-chloranyl-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2,3-dihydrothiochromen-4-one

Systemtic Name: (3S)-6-chloranyl-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2,3-dihydrothiochromen-4-one Openeye Name: (3S)-6-chloro-3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-thiochroman-4-one CAS Name: (3S)-6-chloro-3-[(1-oxido-2-pyridin-1-iumyl)thio]-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: (3S)-6-chloro-3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,3-dihydrothiochromen-4-one Traditional Name: (3S)-6-chloro-3-[(1-oxidopyridin-1-ium-2-yl)thio]thiochroman-4-one Formula: C14H10ClNO2S2 MolecularWeight: 323.8177

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C(S1)C=CC(=C2)Cl)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1[C@H](C(=O)C2=C(S1)C=CC(=C2)Cl)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C14H10ClNO2S2/c15-9-4-5-11-10(7-9)14(17)12(8-19-11)20-13-3-1-2-6-16(13)18/h1-7,12H,8H2/t12-/m1/s1