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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H22N4O2S/c1-15(2)26-22(28)19-10-6-5-9-18(19)20(25-26)21(27)24-11-12-29-14-17-8-4-3-7-16(17)13-23/h3-10,15H,11-12,14H2,1-2H3,(H,24,27)