N'-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]-1,3-benzodioxole-5-carbohydrazide

Systemtic Name: N'-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]-1,3-benzodioxole-5-carbohydrazide Openeye Name: N'-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]-1,3-benzodioxole-5-carbohydrazide CAS Name: N'-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-1,3-benzodioxole-5-carbohydrazide Traditional Name: N'-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]-1,3-benzodioxole-5-carbohydrazide Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17BrN2O4S/c1-10-6-16(11(2)5-13(10)19)26-8-17(22)20-21-18(23)12-3-4-14-15(7-12)25-9-24-14/h3-7H,8-9H2,1-2H3,(H,20,22)(H,21,23)