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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

InChI

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