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

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H19BrN4O3S MolecularWeight: 427.31606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C16H19BrN4O3S/c1-16(2,3)14-19-15(21-20-14)25-8-13(22)18-10-7-12-11(6-9(10)17)23-4-5-24-12/h6-7H,4-5,8H2,1-3H3,(H,18,22)(H,19,20,21)