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

Systemtic Name: 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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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)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H30N4O3S/c1-29(2,3)22-16-14-21(15-17-22)27(35)30-18-26-31-32-28(33(26)23-12-8-9-13-25(23)36-4)37-19-24(34)20-10-6-5-7-11-20/h5-17H,18-19H2,1-4H3,(H,30,35)