3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C18H19Cl2N3O2S MolecularWeight: 412.33336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SC3CCOC3=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SC3CCOC3=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3O2S/c19-11-6-7-13(14(20)10-11)16-21-22-18(26-15-8-9-25-17(15)24)23(16)12-4-2-1-3-5-12/h6-7,10,12,15H,1-5,8-9H2