N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C19H21N3O3S/c1-2-10-22-19(24)16-8-4-3-7-15(16)17(21-22)18(23)20-9-12-26-13-14-6-5-11-25-14/h3-8,11H,2,9-10,12-13H2,1H3,(H,20,23)