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

Systemtic Name: 4-methyl-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-methyl-benzamide CAS Name: 4-methyl-N-[[4-(2-methylpropyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-methyl-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-methyl-benzamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC(C)C)SCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC(C)C)SCC3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-15(2)13-26-19(12-23-20(27)18-6-4-16(3)5-7-18)24-25-21(26)28-14-17-8-10-22-11-9-17/h4-11,15H,12-14H2,1-3H3,(H,23,27)