4-(4-acetamidophenyl)-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide

Systemtic Name: 4-(4-acetamidophenyl)-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide Openeye Name: 4-(4-acetamidophenyl)-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide CAS Name: 4-(4-acetamidophenyl)-6-(methylthio)-N-propyl-1H-phthalazine-2-carboxamide IUPAC Name: 4-(4-acetamidophenyl)-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide Traditional Name: 4-(4-acetamidophenyl)-6-(methylthio)-N-propyl-1H-phthalazine-2-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC2=C(C=C(C=C2)SC)C(=N1)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCNC(=O)N1CC2=C(C=C(C=C2)SC)C(=N1)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H24N4O2S/c1-4-11-22-21(27)25-13-16-7-10-18(28-3)12-19(16)20(24-25)15-5-8-17(9-6-15)23-14(2)26/h5-10,12H,4,11,13H2,1-3H3,(H,22,27)(H,23,26)