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

Systemtic Name: 1-[4-ethoxy-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]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)OCC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-4-24-20(16-9-7-6-8-10-16)22-23-21(24)27-14-18-13-17(15(3)25)11-12-19(18)26-5-2/h6-13H,4-5,14H2,1-3H3