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

Systemtic Name: 4-[3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]sulfonylmorpholine Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O3S2/c24-28(25,23-9-11-26-12-10-23)17-8-4-5-15(13-17)14-27-19-20-18(21-22-19)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,20,21,22)