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

Systemtic Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(5-octyl-1,3,4-thiadiazol-2-yl)-3-propyl-phthalazine-1-carboxamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2S/c1-3-5-6-7-8-9-14-18-24-25-22(30-18)23-20(28)19-16-12-10-11-13-17(16)21(29)27(26-19)15-4-2/h10-13H,3-9,14-15H2,1-2H3,(H,23,25,28)