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

Systemtic Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3,4-dimethylphenyl)methylthio]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3,4-dimethylbenzyl)thio]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole Formula: C23H20FN3S MolecularWeight: 389.488403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4F)C

InChI

InChI=1S/C23H20FN3S/c1-16-12-13-18(14-17(16)2)15-28-23-26-25-22(20-10-6-7-11-21(20)24)27(23)19-8-4-3-5-9-19/h3-14H,15H2,1-2H3