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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-6-fluoro-benzyl)thio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C18H18ClFN4O3S MolecularWeight: 424.876923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H18ClFN4O3S/c1-25-14-7-10(8-15(26-2)16(14)27-3)17-22-23-18(24(17)21)28-9-11-12(19)5-4-6-13(11)20/h4-8H,9,21H2,1-3H3