2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamide

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide Formula: C12H12BrN5O3S MolecularWeight: 386.22438

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CSC3=NN=CN3N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CSC3=NN=CN3N

InChI

InChI=1S/C12H12BrN5O3S/c13-7-3-9-10(21-2-1-20-9)4-8(7)16-11(19)5-22-12-17-15-6-18(12)14/h3-4,6H,1-2,5,14H2,(H,16,19)