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

Systemtic Name: 1-[4-methoxy-3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[3-[[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-14(2)25-21(16-6-9-19(27-4)10-7-16)23-24-22(25)29-13-18-12-17(15(3)26)8-11-20(18)28-5/h6-12,14H,13H2,1-5H3