3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)propanamide CAS Name: 3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)propanamide Traditional Name: 3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)CCC(=O)N

InChI

InChI=1S/C13H16N4OS/c1-17-12(8-7-11(14)18)15-16-13(17)19-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,14,18)