1-phenyl-3-phenylsulfanyl-3-pyrazol-1-yl-butan-1-one

Systemtic Name: 1-phenyl-3-phenylsulfanyl-3-pyrazol-1-yl-butan-1-one Openeye Name: 1-phenyl-3-phenylsulfanyl-3-pyrazol-1-yl-butan-1-one CAS Name: 1-phenyl-3-(phenylthio)-3-(1-pyrazolyl)-1-butanone IUPAC Name: 1-phenyl-3-phenylsulfanyl-3-pyrazol-1-ylbutan-1-one Traditional Name: 1-phenyl-3-(phenylthio)-3-pyrazol-1-yl-butan-1-one Formula: C19H18N2OS MolecularWeight: 322.42402

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=CC=C1)(N2C=CC=N2)SC3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)C1=CC=CC=C1)(N2C=CC=N2)SC3=CC=CC=C3

InChI

InChI=1S/C19H18N2OS/c1-19(21-14-8-13-20-21,23-17-11-6-3-7-12-17)15-18(22)16-9-4-2-5-10-16/h2-14H,15H2,1H3