3-(3,5-dimethylpyrazol-1-yl)-3-ethylsulfanyl-1-phenyl-butan-1-one

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-3-ethylsulfanyl-1-phenyl-butan-1-one Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-3-ethylsulfanyl-1-phenyl-butan-1-one CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-3-(ethylthio)-1-phenyl-1-butanone IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-3-ethylsulfanyl-1-phenylbutan-1-one Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-3-(ethylthio)-1-phenyl-butan-1-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(CC(=O)C1=CC=CC=C1)N2C(=CC(=N2)C)C

Isomeric SMILES

CCSC(C)(CC(=O)C1=CC=CC=C1)N2C(=CC(=N2)C)C

InChI

InChI=1S/C17H22N2OS/c1-5-21-17(4,19-14(3)11-13(2)18-19)12-16(20)15-9-7-6-8-10-15/h6-11H,5,12H2,1-4H3