3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(2-chloro-6-fluoro-benzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C20H15ClFN3S2 MolecularWeight: 415.934603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=C(C=CC=C3Cl)F)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=C(C=CC=C3Cl)F)C4=CC=CS4

InChI

InChI=1S/C20H15ClFN3S2/c21-16-8-4-9-17(22)15(16)13-27-20-24-23-19(18-10-5-11-26-18)25(20)12-14-6-2-1-3-7-14/h1-11H,12-13H2