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

Systemtic Name: 4-(4-aminophenyl)-N-butyl-1-methyl-6-methylsulfanyl-1H-phthalazine-2-carboxamide Openeye Name: 4-(4-aminophenyl)-N-butyl-1-methyl-6-methylsulfanyl-1H-phthalazine-2-carboxamide CAS Name: 4-(4-aminophenyl)-N-butyl-1-methyl-6-(methylthio)-1H-phthalazine-2-carboxamide IUPAC Name: 4-(4-aminophenyl)-N-butyl-1-methyl-6-methylsulfanyl-1H-phthalazine-2-carboxamide Traditional Name: 4-(4-aminophenyl)-N-butyl-1-methyl-6-(methylthio)-1H-phthalazine-2-carboxamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C(C2=C(C=C(C=C2)SC)C(=N1)C3=CC=C(C=C3)N)C

Isomeric SMILES

CCCCNC(=O)N1C(C2=C(C=C(C=C2)SC)C(=N1)C3=CC=C(C=C3)N)C

InChI

InChI=1S/C21H26N4OS/c1-4-5-12-23-21(26)25-14(2)18-11-10-17(27-3)13-19(18)20(24-25)15-6-8-16(22)9-7-15/h6-11,13-14H,4-5,12,22H2,1-3H3,(H,23,26)