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

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H20BrN5O3S MolecularWeight: 490.3735

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2Br)OCCO3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2Br)OCCO3)C4=CC=NC=C4

InChI

InChI=1S/C20H20BrN5O3S/c1-2-7-26-19(13-3-5-22-6-4-13)24-25-20(26)30-12-18(27)23-15-11-17-16(10-14(15)21)28-8-9-29-17/h3-6,10-11H,2,7-9,12H2,1H3,(H,23,27)