3-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2,4-thiadiazol-5-amine

Systemtic Name: 3-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2,4-thiadiazol-5-amine Openeye Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2,4-thiadiazol-5-amine CAS Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2,4-thiadiazol-5-amine IUPAC Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2,4-thiadiazol-5-amine Traditional Name: [3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2,4-thiadiazol-5-yl]amine Formula: C11H10BrN3O2S MolecularWeight: 328.185

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C3=NSC(=N3)N)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C3=NSC(=N3)N)Br)OC1

InChI

InChI=1S/C11H10BrN3O2S/c12-7-4-6(10-14-11(13)18-15-10)5-8-9(7)17-3-1-2-16-8/h4-5H,1-3H2,(H2,13,14,15)