4-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]sulfonylmorpholine Openeye Name: 4-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]sulfonylmorpholine Traditional Name: 4-[3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]sulfonylmorpholine Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NC=NN3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NC=NN3

InChI

InChI=1S/C13H16N4O3S2/c18-22(19,17-4-6-20-7-5-17)12-3-1-2-11(8-12)9-21-13-14-10-15-16-13/h1-3,8,10H,4-7,9H2,(H,14,15,16)