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

Systemtic Name: (3S)-3-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: (3S)-3-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: (3S)-3-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: (3S)-3-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: (3S)-3-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CCOC2=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1S[C@H]2CCOC2=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C18H23N3O2S/c1-5-21-15(12-6-8-13(9-7-12)18(2,3)4)19-20-17(21)24-14-10-11-23-16(14)22/h6-9,14H,5,10-11H2,1-4H3/t14-/m0/s1