4-(4-aminophenyl)-N-butyl-6-methylsulfanyl-1H-phthalazine-2-carboxamide

Systemtic Name: 4-(4-aminophenyl)-N-butyl-6-methylsulfanyl-1H-phthalazine-2-carboxamide Openeye Name: 4-(4-aminophenyl)-N-butyl-6-methylsulfanyl-1H-phthalazine-2-carboxamide CAS Name: 4-(4-aminophenyl)-N-butyl-6-(methylthio)-1H-phthalazine-2-carboxamide IUPAC Name: 4-(4-aminophenyl)-N-butyl-6-methylsulfanyl-1H-phthalazine-2-carboxamide Traditional Name: 4-(4-aminophenyl)-N-butyl-6-(methylthio)-1H-phthalazine-2-carboxamide Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC2=C(C=C(C=C2)SC)C(=N1)C3=CC=C(C=C3)N

Isomeric SMILES

CCCCNC(=O)N1CC2=C(C=C(C=C2)SC)C(=N1)C3=CC=C(C=C3)N

InChI

InChI=1S/C20H24N4OS/c1-3-4-11-22-20(25)24-13-15-7-10-17(26-2)12-18(15)19(23-24)14-5-8-16(21)9-6-14/h5-10,12H,3-4,11,13,21H2,1-2H3,(H,22,25)