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

Systemtic Name: 7-fluoranyl-2-(phenylmethylsulfanyl)-3-(1,2,4-triazol-1-yl)thiochromen-4-one Openeye Name: 2-benzylsulfanyl-7-fluoro-3-(1,2,4-triazol-1-yl)thiochromen-4-one CAS Name: 7-fluoro-2-(phenylmethylthio)-3-(1,2,4-triazol-1-yl)-1-benzothiopyran-4-one IUPAC Name: 2-benzylsulfanyl-7-fluoro-3-(1,2,4-triazol-1-yl)thiochromen-4-one Traditional Name: 2-(benzylthio)-7-fluoro-3-(1,2,4-triazol-1-yl)thiochromen-4-one Formula: C18H12FN3OS2 MolecularWeight: 369.435783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)C3=C(S2)C=C(C=C3)F)N4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)C3=C(S2)C=C(C=C3)F)N4C=NC=N4

InChI

InChI=1S/C18H12FN3OS2/c19-13-6-7-14-15(8-13)25-18(24-9-12-4-2-1-3-5-12)16(17(14)23)22-11-20-10-21-22/h1-8,10-11H,9H2