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

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H17BrN4O3S MolecularWeight: 425.30018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2Br)OCCO3)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2Br)OCCO3)C4CC4

InChI

InChI=1S/C16H17BrN4O3S/c1-21-15(9-2-3-9)19-20-16(21)25-8-14(22)18-11-7-13-12(6-10(11)17)23-4-5-24-13/h6-7,9H,2-5,8H2,1H3,(H,18,22)