2-[[5-[(4-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN4O2S/c18-12-6-8-14(9-7-12)24-10-16-20-21-17(25-11-15(19)23)22(16)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,19,23)