5-(3,5-dimethylphenyl)-3-phenylsulfanyl-1H-pyrazole

Systemtic Name: 5-(3,5-dimethylphenyl)-3-phenylsulfanyl-1H-pyrazole Openeye Name: 5-(3,5-dimethylphenyl)-3-phenylsulfanyl-1H-pyrazole CAS Name: 5-(3,5-dimethylphenyl)-3-(phenylthio)-1H-pyrazole IUPAC Name: 5-(3,5-dimethylphenyl)-3-phenylsulfanyl-1H-pyrazole Traditional Name: 5-(3,5-dimethylphenyl)-3-(phenylthio)-1H-pyrazole Formula: C17H16N2S MolecularWeight: 280.38734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=NN2)SC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=NN2)SC3=CC=CC=C3)C

InChI

InChI=1S/C17H16N2S/c1-12-8-13(2)10-14(9-12)16-11-17(19-18-16)20-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,18,19)