3-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: 3-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SC4CCOC4=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SC4CCOC4=O

InChI

InChI=1S/C21H27N3O2S/c1-21(2,3)15-10-8-14(9-11-15)18-22-23-20(24(18)16-6-4-5-7-16)27-17-12-13-26-19(17)25/h8-11,16-17H,4-7,12-13H2,1-3H3