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

Systemtic Name: 3-butyl-4-oxidanylidene-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-butyl-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)C(CC)CC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)C(CC)CC

InChI

InChI=1S/C20H25N5O2S/c1-4-7-12-25-19(27)15-11-9-8-10-14(15)16(24-25)17(26)21-20-23-22-18(28-20)13(5-2)6-3/h8-11,13H,4-7,12H2,1-3H3,(H,21,23,26)