4-oxidanylidene-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide CAS Name: 4-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-3-benzyl-4-keto-phthalazine-1-carboxamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2S/c1-2-3-5-14-19-25-26-23(31-19)24-21(29)20-17-12-8-9-13-18(17)22(30)28(27-20)15-16-10-6-4-7-11-16/h4,6-13H,2-3,5,14-15H2,1H3,(H,24,26,29)