5-[[2-azanyl-2-(1H-1,2,4-triazol-5-yl)ethyl]sulfanylmethyl]-1,2-oxazol-3-one

Systemtic Name: 5-[[2-azanyl-2-(1H-1,2,4-triazol-5-yl)ethyl]sulfanylmethyl]-1,2-oxazol-3-one Openeye Name: 5-[[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]sulfanylmethyl]isoxazol-3-one CAS Name: 5-[[[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]thio]methyl]-3-isoxazolone IUPAC Name: 5-[[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]sulfanylmethyl]-1,2-oxazol-3-one Traditional Name: 5-[[[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]thio]methyl]-4-isoxazolin-3-one Formula: C8H11N5O2S MolecularWeight: 241.27024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(ONC1=O)CSCC(C2=NC=NN2)N

Isomeric SMILES

C1=C(ONC1=O)CSCC(C2=NC=NN2)N

InChI

InChI=1S/C8H11N5O2S/c9-6(8-10-4-11-12-8)3-16-2-5-1-7(14)13-15-5/h1,4,6H,2-3,9H2,(H,13,14)(H,10,11,12)