3-[2-chloranyl-4-(3-ethylsulfonylpropyl)phenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole

Systemtic Name: 3-[2-chloranyl-4-(3-ethylsulfonylpropyl)phenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Openeye Name: 3-[2-chloro-4-(3-ethylsulfonylpropyl)phenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole CAS Name: 3-[2-chloro-4-(3-ethylsulfonylpropyl)phenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[2-chloro-4-(3-ethylsulfonylpropyl)phenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Traditional Name: 3-[2-chloro-4-(3-esylpropyl)phenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Formula: C21H21ClF3N3O2S MolecularWeight: 471.92355

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCCC1=CC(=C(C=C1)C2=NN=C(N2C)C3=CC=CC=C3C(F)(F)F)Cl

Isomeric SMILES

CCS(=O)(=O)CCCC1=CC(=C(C=C1)C2=NN=C(N2C)C3=CC=CC=C3C(F)(F)F)Cl

InChI

InChI=1S/C21H21ClF3N3O2S/c1-3-31(29,30)12-6-7-14-10-11-16(18(22)13-14)20-27-26-19(28(20)2)15-8-4-5-9-17(15)21(23,24)25/h4-5,8-11,13H,3,6-7,12H2,1-2H3