N-(5-octyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-(5-octyl-1,3,4-thiadiazol-2-yl)-3H-phthalazine-1-carboxamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H23N5O2S/c1-2-3-4-5-6-7-12-15-21-24-19(27-15)20-18(26)16-13-10-8-9-11-14(13)17(25)23-22-16/h8-11H,2-7,12H2,1H3,(H,23,25)(H,20,24,26)