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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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