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

Systemtic Name: N-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[[2-methyl-5-(3-methyl-4-oxo-phthalazin-1-yl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[[2-methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[[2-methyl-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-methyl-benzyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)CSC4=NC=NN4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)CSC4=NC=NN4

InChI

InChI=1S/C21H20N6O2S/c1-13-7-8-14(19-16-5-3-4-6-17(16)20(29)27(2)26-19)9-15(13)10-22-18(28)11-30-21-23-12-24-25-21/h3-9,12H,10-11H2,1-2H3,(H,22,28)(H,23,24,25)