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

Systemtic Name: 1-[3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NNC(=N2)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NNC(=N2)N

InChI

InChI=1S/C13H16N4O2S/c1-3-19-11-5-4-9(8(2)18)6-10(11)7-20-13-15-12(14)16-17-13/h4-6H,3,7H2,1-2H3,(H3,14,15,16,17)