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

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-ethyl-4-oxo-N-[2-(3-thienylmethylsulfanyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-ethyl-4-oxo-N-[2-(3-thiophenylmethylthio)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[2-(3-thenylthio)phenyl]phthalazine-1-carboxamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SCC4=CSC=C4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SCC4=CSC=C4

InChI

InChI=1S/C22H19N3O2S2/c1-2-25-22(27)17-8-4-3-7-16(17)20(24-25)21(26)23-18-9-5-6-10-19(18)29-14-15-11-12-28-13-15/h3-13H,2,14H2,1H3,(H,23,26)