3-butyl-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(E)-(4-methylsulfanylphenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(E)-[4-(methylthio)phenyl]methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(E)-[4-(methylthio)benzylidene]amino]phthalazine-1-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-3-4-13-25-21(27)18-8-6-5-7-17(18)19(24-25)20(26)23-22-14-15-9-11-16(28-2)12-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,23,26)/b22-14+