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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2,5-dimethylbenzyl)thio]-5-(4-fluorophenyl)-1,2,4-triazole Formula: C20H20FN3S MolecularWeight: 353.456303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3S/c1-4-11-24-19(16-7-9-18(21)10-8-16)22-23-20(24)25-13-17-12-14(2)5-6-15(17)3/h4-10,12H,1,11,13H2,2-3H3