N-(3-methylsulfanylphenyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(methylthio)phenyl]-3-propyl-phthalazine-1-carboxamide Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C19H19N3O2S/c1-3-11-22-19(24)16-10-5-4-9-15(16)17(21-22)18(23)20-13-7-6-8-14(12-13)25-2/h4-10,12H,3,11H2,1-2H3,(H,20,23)