N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2,5-bis(chloranyl)benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2,5-bis(chloranyl)benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-2,5-dichloro-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-2,5-dichlorobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2,5-dichlorobenzamide Traditional Name: 2,5-dichloro-N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)benzamide Formula: C21H14Cl2N2O3S MolecularWeight: 445.31846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)Cl)Cl)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)Cl)Cl)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H14Cl2N2O3S/c1-11-15(9-24)21(25-20(26)14-8-13(22)3-4-16(14)23)29-19(11)7-12-2-5-17-18(6-12)28-10-27-17/h2-6,8H,7,10H2,1H3,(H,25,26)