3-(2-methylpropyl)-N-(3-methylsulfanylphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-N-(3-methylsulfanylphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-(3-methylsulfanylphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-N-[3-(methylthio)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-N-(3-methylsulfanylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[3-(methylthio)phenyl]phthalazine-1-carboxamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H21N3O2S/c1-13(2)12-23-20(25)17-10-5-4-9-16(17)18(22-23)19(24)21-14-7-6-8-15(11-14)26-3/h4-11,13H,12H2,1-3H3,(H,21,24)