5-butylsulfanyl-2-phenyl-3,4-dihydropyrazole

Systemtic Name: 5-butylsulfanyl-2-phenyl-3,4-dihydropyrazole Openeye Name: 5-butylsulfanyl-2-phenyl-3,4-dihydropyrazole CAS Name: 5-(butylthio)-2-phenyl-3,4-dihydropyrazole IUPAC Name: 5-butylsulfanyl-2-phenyl-3,4-dihydropyrazole Traditional Name: 3-(butylthio)-1-phenyl-2-pyrazoline Formula: C13H18N2S MolecularWeight: 234.36042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN(CC1)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1=NN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C13H18N2S/c1-2-3-11-16-13-9-10-15(14-13)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3