3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Formula: C27H28FN3S MolecularWeight: 445.594723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C27H28FN3S/c1-27(2,3)22-15-13-21(14-16-22)19-32-26-30-29-25(23-11-7-8-12-24(23)28)31(26)18-17-20-9-5-4-6-10-20/h4-16H,17-19H2,1-3H3