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

Systemtic Name: 1-[3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-4-methoxy-phenyl]ethanone Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-4-24-20(12-16-8-6-5-7-9-16)22-23-21(24)27-14-18-13-17(15(2)25)10-11-19(18)26-3/h5-11,13H,4,12,14H2,1-3H3