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

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[[5-(4-tert-butylphenyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: 3-[[5-(4-tert-butylphenyl)-4-(o-tolyl)-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:

CC1=CC=CC=C1N2C(=NN=C2SC3CCOC3=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC3CCOC3=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C23H25N3O2S/c1-15-7-5-6-8-18(15)26-20(16-9-11-17(12-10-16)23(2,3)4)24-25-22(26)29-19-13-14-28-21(19)27/h5-12,19H,13-14H2,1-4H3