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

Systemtic Name: 1-[4-methoxy-3-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[3-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=C(C=CC(=C3)C(=O)C)OC)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=C(C=CC(=C3)C(=O)C)OC)C4=CN=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-17(2)22-9-5-6-10-23(22)30-25(20-8-7-13-27-15-20)28-29-26(30)33-16-21-14-19(18(3)31)11-12-24(21)32-4/h5-15,17H,16H2,1-4H3