N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-6-fluoranyl-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-6-fluoranyl-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-6-fluoro-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-6-fluoro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-6-fluoro-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-6-fluoro-1-keto-3-methyl-isochroman-3-carboxamide Formula: C17H18FN3O3S2 MolecularWeight: 395.471523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2(CC3=C(C=CC(=C3)F)C(=O)O2)C

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2(CC3=C(C=CC(=C3)F)C(=O)O2)C

InChI

InChI=1S/C17H18FN3O3S2/c1-3-4-7-25-16-21-20-15(26-16)19-14(23)17(2)9-10-8-11(18)5-6-12(10)13(22)24-17/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,20,23)