N-[(E)-1-(1,3-benzodioxol-5-yl)-1-cyano-3,3-dimethyl-but-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-1-cyano-3,3-dimethyl-but-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide Openeye Name: N-[(1E)-1-[1,3-benzodioxol-5-yl(cyano)methylene]-2,2-dimethyl-propyl]-1,2,3-benzothiadiazole-7-carboxamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-tert-butyl-2-cyano-vinyl]-1,2,3-benzothiadiazole-7-carboxamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC2=C(C=C1)OCO2)NC(=O)C3=C4C(=CC=C3)N=NS4

Isomeric SMILES

CC(C)(C)/C(=C(\C#N)/C1=CC2=C(C=C1)OCO2)/NC(=O)C3=C4C(=CC=C3)N=NS4

InChI

InChI=1S/C21H18N4O3S/c1-21(2,3)19(14(10-22)12-7-8-16-17(9-12)28-11-27-16)23-20(26)13-5-4-6-15-18(13)29-25-24-15/h4-9H,11H2,1-3H3,(H,23,26)/b19-14-