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

Systemtic Name: 1-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-3,3-dimethyl-butan-2-one Formula: C12H21N3OS MolecularWeight: 255.37964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3OS/c1-11(2,3)8(16)7-17-10-13-9(14-15-10)12(4,5)6/h7H2,1-6H3,(H,13,14,15)