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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CC1=NN=C(N1N)SCC2=C(C=CC(=C2)C(=O)C)OC

InChI

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