3-(3-methylbutyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(3-methylbutyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isopentyl-N-[(Z)-1-(5-methyl-2-thienyl)ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-methylbutyl)-N-[(Z)-1-(5-methyl-2-thiophenyl)ethylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3-methylbutyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-isoamyl-4-keto-N-[(Z)-1-(5-methyl-2-thienyl)ethylideneamino]phthalazine-1-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC(C)C)C

Isomeric SMILES

CC1=CC=C(S1)/C(=N\NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC(C)C)/C

InChI

InChI=1S/C21H24N4O2S/c1-13(2)11-12-25-21(27)17-8-6-5-7-16(17)19(24-25)20(26)23-22-15(4)18-10-9-14(3)28-18/h5-10,13H,11-12H2,1-4H3,(H,23,26)/b22-15-