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

Systemtic Name: 1-[4-ethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-3-24-17-10-9-15(13(2)23)11-16(17)12-25-19-20-18(21-22-19)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,20,21,22)