N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

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