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

Systemtic Name: 4-butoxy-N-[[4-(3-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[[5-methylsulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-butoxy-N-[[4-(3-methylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(3-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-butoxy-N-[[5-(methylthio)-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-4-5-13-28-19-11-9-17(10-12-19)21(27)23-15-20-24-25-22(29-3)26(20)18-8-6-7-16(2)14-18/h6-12,14H,4-5,13,15H2,1-3H3,(H,23,27)