N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H15BrN4O3S MolecularWeight: 399.2629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C14H15BrN4O3S/c1-2-12-17-14(19-18-12)23-7-13(20)16-9-6-11-10(5-8(9)15)21-3-4-22-11/h5-6H,2-4,7H2,1H3,(H,16,20)(H,17,18,19)