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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NNC(=N2)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H14N4O2S/c1-7(17)8-3-4-10(18-2)9(5-8)6-19-12-14-11(13)15-16-12/h3-5H,6H2,1-2H3,(H3,13,14,15,16)