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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(C2=C(C=C(C=C2)SC)C(=N1)C3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CCNC(=O)N1C(C2=C(C=C(C=C2)SC)C(=N1)C3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C21H24N4O2S/c1-5-22-21(27)25-13(2)18-11-10-17(28-4)12-19(18)20(24-25)15-6-8-16(9-7-15)23-14(3)26/h6-13H,5H2,1-4H3,(H,22,27)(H,23,26)