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

Systemtic Name: N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Openeye Name: N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide CAS Name: N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylthio)butanamide IUPAC Name: N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Traditional Name: N-(5-keto-1-phenyl-3-pyrazolin-3-yl)-2-(1H-1,2,4-triazol-5-ylthio)butyramide Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)SC3=NC=NN3

Isomeric SMILES

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)SC3=NC=NN3

InChI

InChI=1S/C15H16N6O2S/c1-2-11(24-15-16-9-17-19-15)14(23)18-12-8-13(22)21(20-12)10-6-4-3-5-7-10/h3-9,11,20H,2H2,1H3,(H,18,23)(H,16,17,19)