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

Systemtic Name: N-[[4-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-tert-butylbenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butylbenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)SC

InChI

InChI=1S/C21H23BrN4OS/c1-21(2,3)15-7-5-14(6-8-15)19(27)23-13-18-24-25-20(28-4)26(18)17-11-9-16(22)10-12-17/h5-12H,13H2,1-4H3,(H,23,27)