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

Systemtic Name: N-(3-methylsulfanylphenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[3-(methylthio)phenyl]phthalazine-1-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H23N3O2S/c1-3-4-7-13-24-21(26)18-12-6-5-11-17(18)19(23-24)20(25)22-15-9-8-10-16(14-15)27-2/h5-6,8-12,14H,3-4,7,13H2,1-2H3,(H,22,25)