4-methoxy-N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-methoxy-N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-isobutyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: 4-methoxy-N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-methoxy-N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-isobutyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=NC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=NC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N5O2S/c1-15(2)13-26-19(12-23-20(27)17-4-6-18(28-3)7-5-17)24-25-21(26)29-14-16-8-10-22-11-9-16/h4-11,15H,12-14H2,1-3H3,(H,23,27)