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

Systemtic Name: N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[(4-oxo-3H-phthalazin-1-yl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[(4-oxo-3H-phthalazin-1-yl)methyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[(4-oxo-3H-phthalazin-1-yl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[(4-keto-3H-phthalazin-1-yl)methyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C13H12N6O2S MolecularWeight: 316.33838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CNC(=O)CSC3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CNC(=O)CSC3=NC=NN3

InChI

InChI=1S/C13H12N6O2S/c20-11(6-22-13-15-7-16-19-13)14-5-10-8-3-1-2-4-9(8)12(21)18-17-10/h1-4,7H,5-6H2,(H,14,20)(H,18,21)(H,15,16,19)