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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2,5-bis(chloranyl)thiophene-3-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-2,5-dichloro-thiophene-3-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-2,5-dichloro-3-thiophenecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2,5-dichlorothiophene-3-carboxamide Traditional Name: 2,5-dichloro-N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)thiophene-3-carboxamide Formula: C19H12Cl2N2O3S2 MolecularWeight: 451.34618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12Cl2N2O3S2/c1-9-12(7-22)19(23-18(24)11-6-16(20)28-17(11)21)27-15(9)5-10-2-3-13-14(4-10)26-8-25-13/h2-4,6H,5,8H2,1H3,(H,23,24)