2-dodecylsulfanyl-7-fluoranyl-3-(1,2,4-triazol-1-yl)thiochromen-4-one

Systemtic Name: 2-dodecylsulfanyl-7-fluoranyl-3-(1,2,4-triazol-1-yl)thiochromen-4-one Openeye Name: 2-dodecylsulfanyl-7-fluoro-3-(1,2,4-triazol-1-yl)thiochromen-4-one CAS Name: 2-(dodecylthio)-7-fluoro-3-(1,2,4-triazol-1-yl)-1-benzothiopyran-4-one IUPAC Name: 2-dodecylsulfanyl-7-fluoro-3-(1,2,4-triazol-1-yl)thiochromen-4-one Traditional Name: 7-fluoro-2-(laurylthio)-3-(1,2,4-triazol-1-yl)thiochromen-4-one Formula: C23H30FN3OS2 MolecularWeight: 447.632203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C(=O)C2=C(S1)C=C(C=C2)F)N3C=NC=N3

Isomeric SMILES

CCCCCCCCCCCCSC1=C(C(=O)C2=C(S1)C=C(C=C2)F)N3C=NC=N3

InChI

InChI=1S/C23H30FN3OS2/c1-2-3-4-5-6-7-8-9-10-11-14-29-23-21(27-17-25-16-26-27)22(28)19-13-12-18(24)15-20(19)30-23/h12-13,15-17H,2-11,14H2,1H3