4-oxidanylidene-N-(3-phenylsulfanylpropyl)-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-(3-phenylsulfanylpropyl)-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-4-oxo-N-(3-phenylsulfanylpropyl)phthalazine-1-carboxamide CAS Name: 4-oxo-N-[3-(phenylthio)propyl]-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-(3-phenylsulfanylpropyl)-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[3-(phenylthio)propyl]phthalazine-1-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-15(2)24-21(26)18-12-7-6-11-17(18)19(23-24)20(25)22-13-8-14-27-16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,22,25)