3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole CAS Name: 3-[(3-fluorophenyl)methylthio]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(3-fluorobenzyl)thio]-4-methyl-5-(o-tolyl)-1,2,4-triazole Formula: C17H16FN3S MolecularWeight: 313.392443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C17H16FN3S/c1-12-6-3-4-9-15(12)16-19-20-17(21(16)2)22-11-13-7-5-8-14(18)10-13/h3-10H,11H2,1-2H3