3-[4-(2-methylpropyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(2-methylpropyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-3-yl]propionamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCCC2=CC=NC=C2)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SCCC2=CC=NC=C2)CCC(=O)N

InChI

InChI=1S/C16H23N5OS/c1-12(2)11-21-15(4-3-14(17)22)19-20-16(21)23-10-7-13-5-8-18-9-6-13/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H2,17,22)