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

Systemtic Name: 6,8-bis(fluoranyl)-7-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-sulfanyl-thiochromen-4-one Openeye Name: 6,8-difluoro-7-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-sulfanyl-thiochromen-4-one CAS Name: 6,8-difluoro-2-mercapto-7-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-benzothiopyran-4-one IUPAC Name: 6,8-difluoro-7-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-sulfanylthiochromen-4-one Traditional Name: 6,8-difluoro-2-mercapto-7-[(4-methyl-1,2,4-triazol-3-yl)thio]thiochromen-4-one Formula: C12H7F2N3OS3 MolecularWeight: 343.395286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7F2N3OS3/c1-17-4-15-16-12(17)21-11-6(13)2-5-7(18)3-8(19)20-10(5)9(11)14/h2-4,19H,1H3