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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C16H17BrN4O3S/c1-3-4-21-10(2)19-20-16(21)25-9-15(22)18-12-8-14-13(7-11(12)17)23-5-6-24-14/h3,7-8H,1,4-6,9H2,2H3,(H,18,22)