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

Systemtic Name: 3-methoxy-N-[[4-(3-methylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-methoxy-N-[[4-(m-tolyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-methoxy-N-[[4-(3-methylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methoxy-N-[[4-(3-methylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3-methoxy-N-[[4-(m-tolyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-4-11-28-21-24-23-19(25(21)17-9-5-7-15(2)12-17)14-22-20(26)16-8-6-10-18(13-16)27-3/h5-10,12-13H,4,11,14H2,1-3H3,(H,22,26)