2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethoxyphenyl)ethanone Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC(=O)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC(=O)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C16H21N3O3S/c1-16(2,3)14-17-15(19-18-14)23-9-12(20)11-7-6-10(21-4)8-13(11)22-5/h6-8H,9H2,1-5H3,(H,17,18,19)