3-dodecylsulfanyl-5-phenyl-1H-pyrazole

Systemtic Name: 3-dodecylsulfanyl-5-phenyl-1H-pyrazole Openeye Name: 3-dodecylsulfanyl-5-phenyl-1H-pyrazole CAS Name: 3-(dodecylthio)-5-phenyl-1H-pyrazole IUPAC Name: 3-dodecylsulfanyl-5-phenyl-1H-pyrazole Traditional Name: 3-(laurylthio)-5-phenyl-1H-pyrazole Formula: C21H32N2S MolecularWeight: 344.55718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NNC(=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCSC1=NNC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H32N2S/c1-2-3-4-5-6-7-8-9-10-14-17-24-21-18-20(22-23-21)19-15-12-11-13-16-19/h11-13,15-16,18H,2-10,14,17H2,1H3,(H,22,23)