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

Systemtic Name: 3-butyl-4-oxidanylidene-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]phthalazine-1-carboxamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-1-phthalazinecarboxamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-2-3-13-27-21(29)17-12-8-7-11-16(17)19(26-27)20(28)23-22-25-24-18(30-22)14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,23,25,28)