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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-isopropyl-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-propan-2-yl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-6-fluoro-benzyl)thio]-5-isopropyl-1,2,4-triazol-4-yl]amine Formula: C12H14ClFN4S MolecularWeight: 300.782763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C12H14ClFN4S/c1-7(2)11-16-17-12(18(11)15)19-6-8-9(13)4-3-5-10(8)14/h3-5,7H,6,15H2,1-2H3