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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Formula: C16H13ClFN3S MolecularWeight: 333.810923

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H13ClFN3S/c1-21-15(11-6-8-13(18)9-7-11)19-20-16(21)22-10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3