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

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

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC)C3=CC=CC=C3

InChI

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