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

Systemtic Name: 3,3-dimethyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]butan-2-one Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3OS/c1-15(2,3)12(19)10-20-14-17-16-13(18(14)4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3