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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole Formula: C21H15ClFN3S MolecularWeight: 395.880303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3Cl)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3Cl)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H15ClFN3S/c22-19-12-5-4-7-16(19)14-27-21-25-24-20(15-8-6-9-17(23)13-15)26(21)18-10-2-1-3-11-18/h1-13H,14H2