N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(3-methyl-2-thienyl)methyleneamino]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-(3-methyl-2-thiophenyl)methylideneamino]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[(Z)-(3-methyl-2-thienyl)methyleneamino]phthalazine-1-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=C(C=CS3)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=C(C=CS3)C

InChI

InChI=1S/C20H22N4O2S/c1-3-4-7-11-24-20(26)16-9-6-5-8-15(16)18(23-24)19(25)22-21-13-17-14(2)10-12-27-17/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,22,25)/b21-13-