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

Systemtic Name: 4-butoxy-N-[[4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[[4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-butoxy-N-[[4-(3-chlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-butoxy-N-[[4-(3-chlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O2S/c1-3-4-12-28-18-10-8-15(9-11-18)20(27)23-14-19-24-25-21(29-2)26(19)17-7-5-6-16(22)13-17/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,27)