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

Systemtic Name: [5-(4-hexylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-yl-methanone Openeye Name: [5-(4-hexylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridyl)methanone CAS Name: [5-[4-(hexylthio)phenyl]-3,4-dihydropyrazol-2-yl]-(3-pyridinyl)methanone IUPAC Name: [5-(4-hexylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone Traditional Name: [3-[4-(hexylthio)phenyl]-2-pyrazolin-1-yl]-(3-pyridyl)methanone Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=C(C=C1)C2=NN(CC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCCSC1=CC=C(C=C1)C2=NN(CC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-2-3-4-5-15-26-19-10-8-17(9-11-19)20-12-14-24(23-20)21(25)18-7-6-13-22-16-18/h6-11,13,16H,2-5,12,14-15H2,1H3