4-oxidanylidene-3-propan-2-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-propan-2-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-isopropyl-4-oxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-propan-2-yl-N-[4-(3-pyridinylmethylthio)phenyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propan-2-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[4-(3-pyridylmethylthio)phenyl]phthalazine-1-carboxamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C24H22N4O2S/c1-16(2)28-24(30)21-8-4-3-7-20(21)22(27-28)23(29)26-18-9-11-19(12-10-18)31-15-17-6-5-13-25-14-17/h3-14,16H,15H2,1-2H3,(H,26,29)