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

Systemtic Name: 4-butoxy-N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-butoxy-N-[[4-(3,4-dichlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-butoxy-N-[[4-(3,4-dichlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H22Cl2N4O2S MolecularWeight: 465.39598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SC

InChI

InChI=1S/C21H22Cl2N4O2S/c1-3-4-11-29-16-8-5-14(6-9-16)20(28)24-13-19-25-26-21(30-2)27(19)15-7-10-17(22)18(23)12-15/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,28)