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

Systemtic Name: 3,3-dimethyl-1-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 1-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 1-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-3,3-dimethyl-butan-2-one Formula: C11H19N3OS MolecularWeight: 241.35306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N3OS/c1-7(2)9-12-10(14-13-9)16-6-8(15)11(3,4)5/h7H,6H2,1-5H3,(H,12,13,14)