5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-amine

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-amine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-amine CAS Name: 5-[(2-chloro-6-fluorophenyl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-amine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-amine Traditional Name: [5-[(2-chloro-6-fluoro-benzyl)thio]-4-cyclopropyl-1,2,4-triazol-3-yl]amine Formula: C12H12ClFN4S MolecularWeight: 298.766883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)N

InChI

InChI=1S/C12H12ClFN4S/c13-9-2-1-3-10(14)8(9)6-19-12-17-16-11(15)18(12)7-4-5-7/h1-3,7H,4-6H2,(H2,15,16)