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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C23H24N4O2S/c1-16(2)14-27-23(29)20-10-6-5-9-19(20)21(26-27)22(28)25-11-12-30-15-18-8-4-3-7-17(18)13-24/h3-10,16H,11-12,14-15H2,1-2H3,(H,25,28)