6,8-bis(fluoranyl)-2-methylsulfanyl-7-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]thiochromen-4-one

Systemtic Name: 6,8-bis(fluoranyl)-2-methylsulfanyl-7-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]thiochromen-4-one Openeye Name: 6,8-difluoro-2-methylsulfanyl-7-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]thiochromen-4-one CAS Name: 6,8-difluoro-2-(methylthio)-7-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-benzothiopyran-4-one IUPAC Name: 6,8-difluoro-2-methylsulfanyl-7-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]thiochromen-4-one Traditional Name: 6,8-difluoro-2-(methylthio)-7-[(4-methyl-1,2,4-triazol-3-yl)thio]thiochromen-4-one Formula: C13H9F2N3OS3 MolecularWeight: 357.421866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C3C(=O)C=C(SC3=C2F)SC)F

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C3C(=O)C=C(SC3=C2F)SC)F

InChI

InChI=1S/C13H9F2N3OS3/c1-18-5-16-17-13(18)22-12-7(14)3-6-8(19)4-9(20-2)21-11(6)10(12)15/h3-5H,1-2H3