4-oxidanylidene-3-pentyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-3-pentyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]phthalazine-1-carbohydrazide Openeye Name: 4-oxo-3-pentyl-N'-[(E)-3-(2-thienyl)prop-2-enoyl]phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: 4-oxo-3-pentyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]phthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-[(E)-3-(2-thienyl)acryloyl]phthalazine-1-carbohydrazide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-2-3-6-13-25-21(28)17-10-5-4-9-16(17)19(24-25)20(27)23-22-18(26)12-11-15-8-7-14-29-15/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,22,26)(H,23,27)/b12-11+