N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=NC=NN3

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=NC=NN3

InChI

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