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

Systemtic Name: 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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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=CC=C3OC)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SC

InChI

InChI=1S/C22H26N4O2S/c1-22(2,3)16-12-10-15(11-13-16)20(27)23-14-19-24-25-21(29-5)26(19)17-8-6-7-9-18(17)28-4/h6-13H,14H2,1-5H3,(H,23,27)