N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=NNC(=O)C3=CC=CC=C32)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=NNC(=O)C3=CC=CC=C32)C#N

InChI

InChI=1S/C19H16N4O2S/c20-11-13-5-1-2-6-14(13)12-26-10-9-21-19(25)17-15-7-3-4-8-16(15)18(24)23-22-17/h1-8H,9-10,12H2,(H,21,25)(H,23,24)