2-[[4-azanyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloranyl-3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloranyl-3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide Formula: C18H15ClF3N5O2S MolecularWeight: 457.85721

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H15ClF3N5O2S/c1-29-12-4-2-3-10(7-12)16-25-26-17(27(16)23)30-9-15(28)24-11-5-6-14(19)13(8-11)18(20,21)22/h2-8H,9,23H2,1H3,(H,24,28)