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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Formula: C25H24FN3S MolecularWeight: 417.541563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C25H24FN3S/c1-18-12-13-19(2)21(16-18)17-30-25-28-27-24(22-10-6-7-11-23(22)26)29(25)15-14-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3