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

Systemtic Name: 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C(C)(C)C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C(C)(C)C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H29N3OS/c1-8-23-17(14-9-11-15(12-10-14)19(2,3)4)21-22-18(23)25-13-16(24)20(5,6)7/h9-12H,8,13H2,1-7H3