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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

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