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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(5-butyl-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:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)CCCC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)CCCC

InChI

InChI=1S/C20H25N5O2S/c1-3-5-9-13-25-19(27)15-11-8-7-10-14(15)17(24-25)18(26)21-20-23-22-16(28-20)12-6-4-2/h7-8,10-11H,3-6,9,12-13H2,1-2H3,(H,21,23,26)