3-(4-tert-butylphenyl)-5-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-(propargylthio)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole Formula: C22H20F3N3S MolecularWeight: 415.47451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC#C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC#C

InChI

InChI=1S/C22H20F3N3S/c1-5-13-29-20-27-26-19(15-9-11-16(12-10-15)21(2,3)4)28(20)18-8-6-7-17(14-18)22(23,24)25/h1,6-12,14H,13H2,2-4H3