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

Systemtic Name: 4-oxidanylidene-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylphthalazine-1-carboxamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2S/c1-3-14(4-2)20-24-25-22(30-20)23-19(28)18-16-12-8-9-13-17(16)21(29)27(26-18)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3,(H,23,25,28)