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

Systemtic Name: 4-oxidanylidene-3-propyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-propyl-N-[2-(3-thienylmethylsulfanyl)ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-propyl-N-[2-(3-thiophenylmethylthio)ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-[2-(3-thenylthio)ethyl]phthalazine-1-carboxamide Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CSC=C3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CSC=C3

InChI

InChI=1S/C19H21N3O2S2/c1-2-9-22-19(24)16-6-4-3-5-15(16)17(21-22)18(23)20-8-11-26-13-14-7-10-25-12-14/h3-7,10,12H,2,8-9,11,13H2,1H3,(H,20,23)