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

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-phenethyl-1,2,4-triazole Openeye Name: 3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-phenethyl-1,2,4-triazole CAS Name: 3-[(3-fluorophenyl)methylthio]-4-methyl-5-phenethyl-1,2,4-triazole IUPAC Name: 3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-phenethyl-1,2,4-triazole Traditional Name: 3-[(3-fluorobenzyl)thio]-4-methyl-5-phenethyl-1,2,4-triazole Formula: C18H18FN3S MolecularWeight: 327.419023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)F)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)F)CCC3=CC=CC=C3

InChI

InChI=1S/C18H18FN3S/c1-22-17(11-10-14-6-3-2-4-7-14)20-21-18(22)23-13-15-8-5-9-16(19)12-15/h2-9,12H,10-11,13H2,1H3