N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C25H16N6O2S2 MolecularWeight: 496.56354

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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=NN=C(S4)SCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H16N6O2S2/c26-14-16-10-12-17(13-11-16)15-34-25-29-28-24(35-25)27-22(32)21-19-8-4-5-9-20(19)23(33)31(30-21)18-6-2-1-3-7-18/h1-13H,15H2,(H,27,28,32)