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

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[2-(3-thienylmethylsulfanyl)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-[2-(3-thiophenylmethylthio)phenyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-[2-(3-thenylthio)phenyl]phthalazine-1-carboxamide Formula: C26H19N3O2S2 MolecularWeight: 469.57796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC=C4SCC5=CSC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC=C4SCC5=CSC=C5

InChI

InChI=1S/C26H19N3O2S2/c30-25(27-22-12-6-7-13-23(22)33-17-18-14-15-32-16-18)24-20-10-4-5-11-21(20)26(31)29(28-24)19-8-2-1-3-9-19/h1-16H,17H2,(H,27,30)