7-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: 7-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: 7-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[2-[(2-cyanophenyl)methylthio]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 7-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: 7-chloro-N-[2-[(2-cyanobenzyl)thio]ethyl]-piperonylamide Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)NCCSCC3=CC=CC=C3C#N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)NCCSCC3=CC=CC=C3C#N)Cl

InChI

InChI=1S/C18H15ClN2O3S/c19-15-7-14(8-16-17(15)24-11-23-16)18(22)21-5-6-25-10-13-4-2-1-3-12(13)9-20/h1-4,7-8H,5-6,10-11H2,(H,21,22)