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

Systemtic Name: 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-4-methoxy-phenyl]ethanone Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CC1=NN=C(N1C)SCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C14H17N3O2S/c1-9(18)11-5-6-13(19-4)12(7-11)8-20-14-16-15-10(2)17(14)3/h5-7H,8H2,1-4H3