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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(2-chloro-6-fluoro-benzyl)thio]-5-cyclopropyl-1,2,4-triazole Formula: C19H17ClFN3S MolecularWeight: 373.874783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H17ClFN3S/c20-16-7-4-8-17(21)15(16)12-25-19-23-22-18(14-9-10-14)24(19)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2