2-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(3-morpholinosulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[3-(4-morpholinylsulfonyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(3-morpholinosulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C21H18F3N5O4S2 MolecularWeight: 525.52393

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=C(C=C4)OC(F)(F)F)SCC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=C(C=C4)OC(F)(F)F)SCC#N

InChI

InChI=1S/C21H18F3N5O4S2/c22-21(23,24)33-17-6-4-16(5-7-17)29-19(26-27-20(29)34-13-8-25)15-2-1-3-18(14-15)35(30,31)28-9-11-32-12-10-28/h1-7,14H,9-13H2