N-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide

Systemtic Name: N-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-4-tert-butylbenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butylbenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide Formula: C22H25BrN4OS MolecularWeight: 473.4291

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25BrN4OS/c1-5-29-21-26-25-19(27(21)18-12-10-17(23)11-13-18)14-24-20(28)15-6-8-16(9-7-15)22(2,3)4/h6-13H,5,14H2,1-4H3,(H,24,28)