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

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

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)C(=O)C)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)C(=O)C)OCC

InChI

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