1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(3-phenyl-2-pyrazolin-1-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC3=NC=NN3

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C13H13N5OS/c19-12(8-20-13-14-9-15-16-13)18-7-6-11(17-18)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,14,15,16)