N-[[2-methoxy-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[[2-methoxy-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[[2-methoxy-5-(3-methyl-4-oxo-phthalazin-1-yl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[[2-methoxy-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[5-(4-keto-3-methyl-phthalazin-1-yl)-2-methoxy-benzyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)OC)CNC(=O)CSC4=NC=NN4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)OC)CNC(=O)CSC4=NC=NN4

InChI

InChI=1S/C21H20N6O3S/c1-27-20(29)16-6-4-3-5-15(16)19(26-27)13-7-8-17(30-2)14(9-13)10-22-18(28)11-31-21-23-12-24-25-21/h3-9,12H,10-11H2,1-2H3,(H,22,28)(H,23,24,25)