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

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-5-methyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chloro-4-fluoro-benzyl)thio]-5-methyl-1,2,4-triazole Formula: C13H13ClFN3S MolecularWeight: 297.778823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C13H13ClFN3S/c1-3-6-18-9(2)16-17-13(18)19-8-10-4-5-11(15)7-12(10)14/h3-5,7H,1,6,8H2,2H3