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

Systemtic Name: 2-methyl-N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]propanamide Openeye Name: N-[[4-benzyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-propanamide CAS Name: 2-methyl-N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]propanamide IUPAC Name: N-[[4-benzyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropanamide Traditional Name: N-[[4-benzyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-methyl-propionamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=NC=C3

Isomeric SMILES

CC(C)C(=O)NCC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=NC=C3

InChI

InChI=1S/C20H23N5OS/c1-15(2)19(26)22-12-18-23-24-20(27-14-17-8-10-21-11-9-17)25(18)13-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,22,26)