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

Systemtic Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4-methylsulfanylphenyl)thiazol-2-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-[4-(methylthio)phenyl]-2-thiazolyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-[4-(methylthio)phenyl]thiazol-2-yl]-3-propyl-phthalazine-1-carboxamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)SC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C22H20N4O2S2/c1-3-12-26-21(28)17-7-5-4-6-16(17)19(25-26)20(27)24-22-23-18(13-30-22)14-8-10-15(29-2)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,23,24,27)