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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(m-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-6-fluoro-benzyl)thio]-5-(m-tolyl)-1,2,4-triazol-4-yl]amine Formula: C16H14ClFN4S MolecularWeight: 348.825563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H14ClFN4S/c1-10-4-2-5-11(8-10)15-20-21-16(22(15)19)23-9-12-13(17)6-3-7-14(12)18/h2-8H,9,19H2,1H3