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

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: 3-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SC4CCOC4=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SC4CCOC4=O

InChI

InChI=1S/C23H25N3O2S/c1-23(2,3)18-11-9-17(10-12-18)20-24-25-22(29-19-13-14-28-21(19)27)26(20)15-16-7-5-4-6-8-16/h4-12,19H,13-15H2,1-3H3