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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chloro-6-fluoro-benzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C16H13ClFN3S2 MolecularWeight: 365.875923

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC=CS3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC=CS3

InChI

InChI=1S/C16H13ClFN3S2/c1-2-8-21-15(14-7-4-9-22-14)19-20-16(21)23-10-11-12(17)5-3-6-13(11)18/h2-7,9H,1,8,10H2