3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-cyclopentyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chloro-6-fluoro-benzyl)thio]-5-cyclopentyl-1,2,4-triazole Formula: C17H19ClFN3S MolecularWeight: 351.869263

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3CCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3CCCC3

InChI

InChI=1S/C17H19ClFN3S/c1-2-10-22-16(12-6-3-4-7-12)20-21-17(22)23-11-13-14(18)8-5-9-15(13)19/h2,5,8-9,12H,1,3-4,6-7,10-11H2