3-butyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[4-(4-chlorophenyl)thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[4-(4-chlorophenyl)-2-thiazolyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[4-(4-chlorophenyl)thiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O2S/c1-2-3-12-27-21(29)17-7-5-4-6-16(17)19(26-27)20(28)25-22-24-18(13-30-22)14-8-10-15(23)11-9-14/h4-11,13H,2-3,12H2,1H3,(H,24,25,28)