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

Systemtic Name: 3-butyl-4-oxidanylidene-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-(5-propyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2S/c1-3-5-11-23-17(25)13-10-7-6-9-12(13)15(22-23)16(24)19-18-21-20-14(26-18)8-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,19,21,24)