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

Systemtic Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-phenyl-methanone Openeye Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-phenyl-methanone CAS Name: [3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-phenylmethanone IUPAC Name: (3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-phenylmethanone Traditional Name: [3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]-phenyl-methanone Formula: C18H16N2OS MolecularWeight: 308.39744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2OS/c1-13-17(22-16-11-7-4-8-12-16)14(2)20(19-13)18(21)15-9-5-3-6-10-15/h3-12H,1-2H3