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

Systemtic Name: 3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)thio]butan-2-one Formula: C9H15N3OS MolecularWeight: 213.2999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=CN1C

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=CN1C

InChI

InChI=1S/C9H15N3OS/c1-9(2,3)7(13)5-14-8-11-10-6-12(8)4/h6H,5H2,1-4H3