[5-(3-butylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-yl-methanone

Systemtic Name: [5-(3-butylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-yl-methanone Openeye Name: [5-(3-butylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridyl)methanone CAS Name: [5-[3-(butylthio)phenyl]-3,4-dihydropyrazol-2-yl]-(3-pyridinyl)methanone IUPAC Name: [5-(3-butylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone Traditional Name: [3-[3-(butylthio)phenyl]-2-pyrazolin-1-yl]-(3-pyridyl)methanone Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC(=C1)C2=NN(CC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCSC1=CC=CC(=C1)C2=NN(CC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H21N3OS/c1-2-3-12-24-17-8-4-6-15(13-17)18-9-11-22(21-18)19(23)16-7-5-10-20-14-16/h4-8,10,13-14H,2-3,9,11-12H2,1H3