1-[2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]phenyl]ethanone

Systemtic Name: 1-[2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]phenyl]ethanone Openeye Name: 1-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]phenyl]ethanone CAS Name: 1-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethoxy]phenyl]ethanone IUPAC Name: 1-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]phenyl]ethanone Traditional Name: 1-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethoxy]phenyl]ethanone Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCSC2=NNC(=N2)N

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCSC2=NNC(=N2)N

InChI

InChI=1S/C12H14N4O2S/c1-8(17)9-4-2-3-5-10(9)18-6-7-19-12-14-11(13)15-16-12/h2-5H,6-7H2,1H3,(H3,13,14,15,16)