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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-cyclohexyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-cyclohexyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-cyclohexyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chloro-6-fluoro-benzyl)thio]-5-cyclohexyl-1,2,4-triazole Formula: C18H21ClFN3S MolecularWeight: 365.895843

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3CCCCC3

InChI

InChI=1S/C18H21ClFN3S/c1-2-11-23-17(13-7-4-3-5-8-13)21-22-18(23)24-12-14-15(19)9-6-10-16(14)20/h2,6,9-10,13H,1,3-5,7-8,11-12H2