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

Systemtic Name: 3-[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)propanamide CAS Name: 3-[4-ethyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)propanamide Traditional Name: 3-[5-(benzylthio)-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)CCC(=O)N

InChI

InChI=1S/C14H18N4OS/c1-2-18-13(9-8-12(15)19)16-17-14(18)20-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,19)