1-(4-cyclohexylphenyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-cyclohexylphenyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-cyclohexylphenyl)-2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-cyclohexylphenyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-cyclohexylphenyl)-2-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S/c31-25(22-15-13-21(14-16-22)20-8-3-1-4-9-20)19-33-27-29-28-26(23-10-5-2-6-11-23)30(27)18-24-12-7-17-32-24/h2,5-7,10-17,20H,1,3-4,8-9,18-19H2