5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(tetrahydrofuran-2-ylmethyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(2-oxolanylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1,3,4-thiadiazol-2-yl]-(tetrahydrofurfuryl)amine Formula: C16H18BrN3O3S2 MolecularWeight: 444.36642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NN=C(S2)SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CC(OC1)CNC2=NN=C(S2)SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C16H18BrN3O3S2/c17-12-7-14-13(22-4-5-23-14)6-10(12)9-24-16-20-19-15(25-16)18-8-11-2-1-3-21-11/h6-7,11H,1-5,8-9H2,(H,18,19)