4-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]methyl]isoxazole Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(ON=C3C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(ON=C3C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-4-27-19-12-10-18(11-13-19)26-21(17-8-6-5-7-9-17)23-24-22(26)29-14-20-15(2)25-28-16(20)3/h5-13H,4,14H2,1-3H3