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

Systemtic Name: 5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2-furylmethyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(2-furanylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(furan-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]-(2-furfuryl)amine Formula: C16H14BrN3O3S2 MolecularWeight: 440.33466

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=C(S3)NCC4=CC=CO4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=C(S3)NCC4=CC=CO4

InChI

InChI=1S/C16H14BrN3O3S2/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/h1-3,6-7H,4-5,8-9H2,(H,18,19)