2-bromanyl-N-[1-[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 2-bromo-N-[1-[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 2-bromo-N-[1-[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 2-bromo-N-[1-[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 2-bromo-N-[1-[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SCCOC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC(C1=NN=C(N1C)SCCOC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H21BrN4O2S/c1-14(22-19(26)16-10-6-7-11-17(16)21)18-23-24-20(25(18)2)28-13-12-27-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)