3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-4-fluoro-benzyl)thio]-5-cyclopropyl-1,2,4-triazol-4-yl]amine Formula: C12H12ClFN4S MolecularWeight: 298.766883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C12H12ClFN4S/c13-10-5-9(14)4-3-8(10)6-19-12-17-16-11(18(12)15)7-1-2-7/h3-5,7H,1-2,6,15H2