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

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-2-8-17-23-24-21(29-17)22-19(27)18-15-11-6-7-12-16(15)20(28)26(25-18)13-14-9-4-3-5-10-14/h3-7,9-12H,2,8,13H2,1H3,(H,22,24,27)