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

Systemtic Name: 3-[3-cyclopropyl-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-4-yl]propionamide Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCCC3=CC=NC=C3

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCCC3=CC=NC=C3

InChI

InChI=1S/C15H19N5OS/c16-13(21)5-9-20-14(12-1-2-12)18-19-15(20)22-10-6-11-3-7-17-8-4-11/h3-4,7-8,12H,1-2,5-6,9-10H2,(H2,16,21)