N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(4-methylsulfanylphenyl)methyleneamino]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-[4-(methylthio)phenyl]methylideneamino]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[(Z)-[4-(methylthio)benzylidene]amino]phthalazine-1-carboxamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H24N4O2S/c1-3-4-7-14-26-22(28)19-9-6-5-8-18(19)20(25-26)21(27)24-23-15-16-10-12-17(29-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,24,27)/b23-15-