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

Systemtic Name: 2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C17H15BrFN5O2S MolecularWeight: 452.300703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H15BrFN5O2S/c1-26-14-5-3-2-4-11(14)16-22-23-17(24(16)20)27-9-15(25)21-13-7-6-10(18)8-12(13)19/h2-8H,9,20H2,1H3,(H,21,25)