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

Systemtic Name: 4-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole Openeye Name: 4-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-oxazole CAS Name: 4-[[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-phenyloxazole IUPAC Name: 4-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole Traditional Name: 4-[[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-phenyl-oxazole Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=COC(=N4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=COC(=N4)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H28N4O3S/c1-31-22-14-13-19(15-23(22)32-2)24-28-29-26(30(24)21-11-7-4-8-12-21)34-17-20-16-33-25(27-20)18-9-5-3-6-10-18/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17H2,1-2H3