3-butyl-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(Z)-1-(2,5-dimethyl-3-thienyl)ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(Z)-1-(2,5-dimethyl-3-thiophenyl)ethylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(Z)-1-(2,5-dimethyl-3-thienyl)ethylideneamino]-4-keto-phthalazine-1-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-5-6-11-25-21(27)17-10-8-7-9-16(17)19(24-25)20(26)23-22-14(3)18-12-13(2)28-15(18)4/h7-10,12H,5-6,11H2,1-4H3,(H,23,26)/b22-14-