(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(furan-2-yl)methanone

Systemtic Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(furan-2-yl)methanone Openeye Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(2-furyl)methanone CAS Name: [3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-(2-furanyl)methanone IUPAC Name: (3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-(furan-2-yl)methanone Traditional Name: [3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]-(2-furyl)methanone Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=CO2)C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=CO2)C)SC3=CC=CC=C3

InChI

InChI=1S/C16H14N2O2S/c1-11-15(21-13-7-4-3-5-8-13)12(2)18(17-11)16(19)14-9-6-10-20-14/h3-10H,1-2H3