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

Systemtic Name: 4-(4-acetamidophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide Openeye Name: 4-(4-acetamidophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide CAS Name: 4-(4-acetamidophenyl)-1-methyl-6-(methylthio)-N-propyl-1H-phthalazine-2-carboxamide IUPAC Name: 4-(4-acetamidophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide Traditional Name: 4-(4-acetamidophenyl)-1-methyl-6-(methylthio)-N-propyl-1H-phthalazine-2-carboxamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-5-12-23-22(28)26-14(2)19-11-10-18(29-4)13-20(19)21(25-26)16-6-8-17(9-7-16)24-15(3)27/h6-11,13-14H,5,12H2,1-4H3,(H,23,28)(H,24,27)