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

Systemtic Name: 1-[3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C20H21N3O2S/c1-4-14-5-7-15(8-6-14)19-21-20(23-22-19)26-12-17-11-16(13(2)24)9-10-18(17)25-3/h5-11H,4,12H2,1-3H3,(H,21,22,23)