2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(2-thienylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(thiophen-2-ylmethylthio)ethyl]acetamide IUPAC Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)-N-[2-(2-thenylthio)ethyl]acetamide Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C17H17N3O3S2/c21-15(18-7-9-24-11-12-4-3-8-25-12)10-20-17(23)14-6-2-1-5-13(14)16(22)19-20/h1-6,8H,7,9-11H2,(H,18,21)(H,19,22)