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

Systemtic Name: 4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H22Cl2N4OS MolecularWeight: 449.39658

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4OS/c1-21(2,3)14-7-5-13(6-8-14)19(28)24-12-18-25-26-20(29-4)27(18)15-9-10-16(22)17(23)11-15/h5-11H,12H2,1-4H3,(H,24,28)