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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H21N3O2S/c1-3-4-12-23-20(25)17-11-6-5-10-16(17)18(22-23)19(24)21-14-8-7-9-15(13-14)26-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,24)