1-(4-tert-butylphenyl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-tert-butylphenyl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2CCOC)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2CCOC)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2S/c1-17(21(28)18-11-13-20(14-12-18)24(2,3)4)30-23-26-25-22(27(23)15-16-29-5)19-9-7-6-8-10-19/h6-14,17H,15-16H2,1-5H3