5-[[3-[4-(2-methylsulfanylethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[[3-[4-(2-methylsulfanylethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[[3-[4-(2-methylsulfanylethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-2H-tetrazole CAS Name: 5-[[3-[4-[2-(methylthio)ethoxy]phenyl]-1H-pyrazol-5-yl]methyl]-2H-tetrazole IUPAC Name: 5-[[3-[4-(2-methylsulfanylethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-2H-tetrazole Traditional Name: 5-[[3-[4-[2-(methylthio)ethoxy]phenyl]-1H-pyrazol-5-yl]methyl]-2H-tetrazole Formula: C14H16N6OS MolecularWeight: 316.38144

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC1=CC=C(C=C1)C2=NNC(=C2)CC3=NNN=N3

Isomeric SMILES

CSCCOC1=CC=C(C=C1)C2=NNC(=C2)CC3=NNN=N3

InChI

InChI=1S/C14H16N6OS/c1-22-7-6-21-12-4-2-10(3-5-12)13-8-11(15-16-13)9-14-17-19-20-18-14/h2-5,8H,6-7,9H2,1H3,(H,15,16)(H,17,18,19,20)