4-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H25N3O2S/c26-19(17-9-3-1-4-10-17)13-8-16-28-22-24-23-21(20-14-7-15-27-20)25(22)18-11-5-2-6-12-18/h1,3-4,7,9-10,14-15,18H,2,5-6,8,11-13,16H2