N-[[5-[2-[(4-iodanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[5-[2-[(4-iodanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[5-[2-(4-iodo-2,6-dimethyl-anilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[5-[[2-(4-iodo-2,6-dimethylanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[5-[2-(4-iodo-2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[5-[[2-(4-iodo-2,6-dimethyl-anilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-piperonylamide Formula: C22H22IN5O4S MolecularWeight: 579.41065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4)C)I

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4)C)I

InChI

InChI=1S/C22H22IN5O4S/c1-12-6-15(23)7-13(2)20(12)25-19(29)10-33-22-27-26-18(28(22)3)9-24-21(30)14-4-5-16-17(8-14)32-11-31-16/h4-8H,9-11H2,1-3H3,(H,24,30)(H,25,29)