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

Systemtic Name: 5-[[2-azanyl-2-(5-oxidanylidene-1,2,4-triazol-3-yl)ethyl]sulfanylmethyl]-1,2-oxazol-3-one Openeye Name: 5-[[2-amino-2-(5-oxo-1,2,4-triazol-3-yl)ethyl]sulfanylmethyl]isoxazol-3-one CAS Name: 5-[[[2-amino-2-(5-oxo-1,2,4-triazol-3-yl)ethyl]thio]methyl]-3-isoxazolone IUPAC Name: 5-[[2-amino-2-(5-oxo-1,2,4-triazol-3-yl)ethyl]sulfanylmethyl]-1,2-oxazol-3-one Traditional Name: 5-[[[2-amino-2-(5-keto-1,2,4-triazol-3-yl)ethyl]thio]methyl]-4-isoxazolin-3-one Formula: C8H9N5O3S MolecularWeight: 255.25376

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(ONC1=O)CSCC(C2=NC(=O)N=N2)N

Isomeric SMILES

C1=C(ONC1=O)CSCC(C2=NC(=O)N=N2)N

InChI

InChI=1S/C8H9N5O3S/c9-5(7-10-8(15)12-11-7)3-17-2-4-1-6(14)13-16-4/h1,5H,2-3,9H2,(H,13,14)