5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C18H14FN3O3S2 MolecularWeight: 403.450463

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C18H14FN3O3S2/c19-11-1-3-12(4-2-11)20-17(23)18-22-21-16(27-18)10-26-13-5-6-14-15(9-13)25-8-7-24-14/h1-6,9H,7-8,10H2,(H,20,23)