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

Systemtic Name: 2-[[4-(4-bromanyl-2-chloranyl-phenyl)-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzylsulfanylmethyl)-4-(4-bromo-2-chloro-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-bromo-2-chlorophenyl)-5-[(phenylmethylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(benzylsulfanylmethyl)-4-(4-bromo-2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(benzylthio)methyl]-4-(4-bromo-2-chloro-phenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H16BrClN4OS2 MolecularWeight: 483.83284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=NN=C(N2C3=C(C=C(C=C3)Br)Cl)SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=NN=C(N2C3=C(C=C(C=C3)Br)Cl)SCC(=O)N

InChI

InChI=1S/C18H16BrClN4OS2/c19-13-6-7-15(14(20)8-13)24-17(22-23-18(24)27-10-16(21)25)11-26-9-12-4-2-1-3-5-12/h1-8H,9-11H2,(H2,21,25)