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

Systemtic Name: 4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C28H26Cl2N4O2S MolecularWeight: 553.50264

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26Cl2N4O2S/c1-28(2,3)20-11-9-19(10-12-20)26(36)31-16-25-32-33-27(34(25)21-13-14-22(29)23(30)15-21)37-17-24(35)18-7-5-4-6-8-18/h4-15H,16-17H2,1-3H3,(H,31,36)